--- Initiating Simulation (Waiting for processing) ---
STARTING AUTOMATION...
-------------------------------------
COPYING FILE 'input_cluster.txt' TO 'arquivos'...
DIRECTORY CHANGED TO 'arquivos'.
MPI LIBRARY FOUND AT: .
LD_LIBRARY_PATH VARIABLE EXPORTED.
--- Cleaning and Compiling 'randmscd_parallel' ---
mpic++ -c  -O3 -std=c++98 -Wall  -o userinfo.o userinfo.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o userutil.o userutil.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o cartesia.o cartesia.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o polation.o polation.cpp
polation.cpp: In destructor ‘Polation::~Polation()’:
polation.cpp:32:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   32 |   if (y2data) delete [] y2data; if (udata) delete [] udata;
      |   ^~
polation.cpp:32:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   32 |   if (y2data) delete [] y2data; if (udata) delete [] udata;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o curvefit.o curvefit.cpp
curvefit.cpp: In destructor ‘Curvefit::~Curvefit()’:
curvefit.cpp:11:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   11 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |   ^~
curvefit.cpp:11:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   11 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |                                 ^~
curvefit.cpp:12:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   12 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
curvefit.cpp:12:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   12 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
curvefit.cpp:13:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   13 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |   ^~
curvefit.cpp:13:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   13 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |                               ^~
curvefit.cpp:14:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   14 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |   ^~
curvefit.cpp:14:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   14 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |                             ^~
curvefit.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |   ^~
curvefit.cpp:16:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |                               ^~
curvefit.cpp: In member function ‘int Curvefit::netsearch()’:
curvefit.cpp:212:16: warning: ‘*’ in boolean context, suggest ‘&&’ instead [-Wint-in-bool-context]
  212 |       (atry[jc]*afit[jc]))
      |       ~~~~~~~~~^~~~~~~~~~
curvefit.cpp: In member function ‘int Curvefit::gausjord(float*, float*, int, int)’:
curvefit.cpp:525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  525 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |   ^~
curvefit.cpp:525:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  525 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |                              ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o pdinten.o pdinten.cpp
pdinten.cpp: In member function ‘int Pdintensity::loadintensity(char*, char*, int, float*, float*, float*, float*, float*)’:
pdinten.cpp:836:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  836 |   if (membuf) delete [] membuf; if (commentbuf) delete [] commentbuf;
      |   ^~
pdinten.cpp:836:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  836 |   if (membuf) delete [] membuf; if (commentbuf) delete [] commentbuf;
      |                                 ^~
pdinten.cpp:837:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  837 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
pdinten.cpp:837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  837 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
pdinten.cpp:838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  838 |   if (zdata) delete [] zdata; if (udata) delete [] udata;
      |   ^~
pdinten.cpp:838:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  838 |   if (zdata) delete [] zdata; if (udata) delete [] udata;
      |                               ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o pdintena.o pdintena.cpp
pdintena.cpp: In member function ‘int Pdintensity::chicalc(int)’:
pdintena.cpp:220:33: warning: suggest parentheses around ‘&&’ within ‘||’ [-Wparentheses]
  220 |   { if ((scanhun>1)&&(scanten<3)&&(chicommand==11)||
      |         ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
pdintena.cpp:299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  299 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
pdintena.cpp:299:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  299 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
pdintena.cpp:300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  300 |   if (zdata) delete [] zdata; if (ychi) delete [] ychi;
      |   ^~
pdintena.cpp:300:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  300 |   if (zdata) delete [] zdata; if (ychi) delete [] ychi;
      |                               ^~
pdintena.cpp: In member function ‘int Pdintensity::chicurve(int, int, float*, float*, float*)’:
pdintena.cpp:385:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |   if (xafit) delete [] xafit; if (abest) delete [] abest;
      |   ^~
pdintena.cpp:385:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |   if (xafit) delete [] xafit; if (abest) delete [] abest;
      |                               ^~
pdintena.cpp:386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  386 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
pdintena.cpp:386:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  386 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
pdintena.cpp: In member function ‘int Pdintensity::savecurve(char*, char*)’:
pdintena.cpp:500:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  500 |         fileout.string("datakind beginning-row linenumbers",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:501:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  501 |       else fileout.string("datakind beginning-row multi-curves",0,1);
      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:505:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  505 |         fileout.string("   angle-resolved photoemission extended fine");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:506:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  506 |         fileout.string(" structure (ARPEFS)",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:508:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  508 |         { fileout.string("   photoemission energy scan curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:510:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  510 |             "     parameters: curve point theta phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:514:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  514 |         { fileout.string("   photoemission energy scan hologram",
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:517:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  517 |             "     parameters: curve point theta phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:521:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  521 |         { fileout.string("   photoemission polar scan curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:523:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  523 |             "     parameters: curve point wavenum phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:527:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  527 |         { fileout.string("   photoemission azimuthal scan curves",
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:530:11: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  530 |           "     parameters: curve point wavenum theta weightc weighte",
      |           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:534:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  534 |         { fileout.string("   photoelectron diffraction curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:536:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  536 |             "     parameters: curve point wavenum    weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:539:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  539 |         fileout.string("     columns: ");
      |                        ^~~~~~~~~~~~~~~~
pdintena.cpp:540:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  540 |         if ((scanuni==1)||(scanuni==5)) fileout.string("wavenum ");
      |                                                        ^~~~~~~~~~
pdintena.cpp:541:61: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  541 |         else if ((scanuni==2)||(scanuni==6)) fileout.string("theta ");
      |                                                             ^~~~~~~~
pdintena.cpp:542:61: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  542 |         else if ((scanuni==3)||(scanuni==7)) fileout.string("phi ");
      |                                                             ^~~~~~
pdintena.cpp:544:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  544 |           fileout.string("theta phi ");
      |                          ^~~~~~~~~~~~
pdintena.cpp:545:39: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  545 |         if (scanten<3) fileout.string("intensity background chical");
      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:546:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  546 |         else if (scanten<5) fileout.string("intlcp intrcp asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:547:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  547 |         else if (scanten<7) fileout.string("intmup intmdown asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:548:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  548 |         else if (scanten<9) fileout.string("intsup intsdown asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:555:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  555 |         fileout.string("  ncurve npoint nk ntheta nphi nangle",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp: In member function ‘int Pdintensity::getcurvepar(int, int*, float*, float*, float*, float*, float*)’:
pdintena.cpp:726:7: warning: variable ‘j’ set but not used [-Wunused-but-set-variable]
  726 | { int j,k,scanuni;
      |       ^
mpic++ -c  -O3 -std=c++98 -Wall  -o fcomplex.o fcomplex.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o msfuncs.o msfuncs.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o pdchifit.o pdchifit.cpp
pdchifit.cpp: In destructor ‘Pdchifit::~Pdchifit()’:
pdchifit.cpp:12:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   12 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |   ^~
pdchifit.cpp:12:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   12 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |                                 ^~
pdchifit.cpp:13:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   13 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
pdchifit.cpp:13:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   13 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
pdchifit.cpp:14:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   14 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |   ^~
pdchifit.cpp:14:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   14 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |                               ^~
pdchifit.cpp:15:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   15 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |   ^~
pdchifit.cpp:15:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   15 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |                             ^~
pdchifit.cpp:17:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   17 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |   ^~
pdchifit.cpp:17:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   17 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |                               ^~
pdchifit.cpp: In member function ‘int Pdchifit::gausjord(float*, float*, int, int)’:
pdchifit.cpp:526:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  526 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |   ^~
pdchifit.cpp:526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  526 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |                              ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o vibrate.o vibrate.cpp
vibrate.cpp: In member function ‘int Vibration::savecurve(char*, char*, float)’:
vibrate.cpp:186:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  186 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:189:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  189 |       fileout.string(" correlated thermal vibrational mean square ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:190:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  190 |       fileout.string("relative displacement",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:191:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  191 |       fileout.string("   versus interatomic distance",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:193:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  193 |       fileout.string("   density =");
      |                      ^~~~~~~~~~~~~~
vibrate.cpp:195:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  195 |       fileout.string(" g/cm3",0,1);
      |                      ^~~~~~~~
vibrate.cpp:196:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  196 |       fileout.string("   molecular weight =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:198:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  198 |       fileout.string(" amu     atomic weight =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:200:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  200 |       fileout.string(" amu",0,1);
      |                      ^~~~~~
vibrate.cpp:201:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  201 |       fileout.string("   debye and sample temperature =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:203:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |       fileout.string(" and "); fileout.floating(tsample,7.1f,256);
      |                      ^~~~~~~
vibrate.cpp:204:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  204 |       fileout.string(" K",0,1);
      |                      ^~~~
vibrate.cpp:205:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  205 |       fileout.string("idis",7,16); fileout.string("msrdis",14);
      |                      ^~~~~~
vibrate.cpp:205:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  205 |       fileout.string("idis",7,16); fileout.string("msrdis",14);
      |                                                   ^~~~~~~~
vibrate.cpp:206:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  206 |       fileout.string(" (units: angstrom angstrom2)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o meanpath.o meanpath.cpp
meanpath.cpp: In member function ‘int Meanpath::savecurve(char*, char*)’:
meanpath.cpp:185:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  185 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:189:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  189 |       { fileout.string("number of valence electrons =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:191:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  191 |         fileout.space(5); fileout.string("bandgap energy =");
      |                                          ^~~~~~~~~~~~~~~~~~
meanpath.cpp:193:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  193 |         fileout.string(" eV",0,1);
      |                        ^~~~~
meanpath.cpp:196:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  196 |       { fileout.string("electron attenuation length =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:198:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  198 |         fileout.string("*energy^");
      |                        ^~~~~~~~~~
meanpath.cpp:200:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  200 |         fileout.string(" angstroms",0,1);
      |                        ^~~~~~~~~~~~
meanpath.cpp:203:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |       { fileout.string("electron wave attenuation due to ");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:204:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  204 |         fileout.string("inelastic process not considered",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:207:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  207 |       { fileout.string("density of bulk =");
      |                        ^~~~~~~~~~~~~~~~~~~
meanpath.cpp:209:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  209 |         fileout.string(" g/cm3     molecular weight =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:211:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  211 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
meanpath.cpp:213:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  213 |       fileout.string("k (1/angs)",10,16);
      |                      ^~~~~~~~~~~~
meanpath.cpp:214:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  214 |       fileout.string("lamda (angstrom)",17,1);
      |                      ^~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o phase.o phase.cpp
phase.cpp: In destructor ‘Phaseshift::~Phaseshift()’:
phase.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (phasea) delete [] phasea; if (phaseb) delete [] phaseb;
      |   ^~
phase.cpp:16:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (phasea) delete [] phasea; if (phaseb) delete [] phaseb;
      |                                 ^~
phase.cpp: In member function ‘int Phaseshift::savecurve(char*, char*)’:
phase.cpp:376:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  376 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:379:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  379 |       fileout.string(" phase shift data",0,2);
      |                      ^~~~~~~~~~~~~~~~~~~
phase.cpp:380:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  380 |       fileout.string("   parameters: number of wave vectors and");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:381:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  381 |       fileout.string(" quantum momenta",0,1);
      |                      ^~~~~~~~~~~~~~~~~~
phase.cpp:382:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  382 |       fileout.string("   columns: k (1/angstrom)   ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:383:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  383 |       if (lnum<1) fileout.string("no phase shift data",0,1);
      |                                  ^~~~~~~~~~~~~~~~~~~~~
phase.cpp:385:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |       { fileout.string("phase (l = 0 - ");
      |                        ^~~~~~~~~~~~~~~~~
phase.cpp:386:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |         fileout.integer(lnum-1); fileout.string(") (radian)",0,1);
      |                                                 ^~~~~~~~~~~~
phase.cpp: In member function ‘int Phaseshift::kconfine(float*, float*, int*)’:
phase.cpp:419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  419 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |     ^~
phase.cpp:419:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  419 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |                             ^~
phase.cpp:420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  420 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |     ^~
phase.cpp:420:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  420 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |                                   ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o radmat.o radmat.cpp
radmat.cpp: In destructor ‘Radialmatrix::~Radialmatrix()’:
radmat.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (subshell) delete [] subshell; if (radmat) delete [] radmat;
      |   ^~
radmat.cpp:16:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (subshell) delete [] subshell; if (radmat) delete [] radmat;
      |                                     ^~
radmat.cpp: In member function ‘int Radialmatrix::savecurve(char*, char*)’:
radmat.cpp:282:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  282 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
radmat.cpp:287:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       fileout.string(" radial matrix data",0,2);
      |                      ^~~~~~~~~~~~~~~~~~~~~
radmat.cpp:288:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |       fileout.string("k",12); fileout.string("R(li+1)",15);
      |                      ^~~
radmat.cpp:288:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |       fileout.string("k",12); fileout.string("R(li+1)",15);
      |                                              ^~~~~~~~~
radmat.cpp:289:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  289 |       fileout.string("phase(li+1)",12);
      |                      ^~~~~~~~~~~~~
radmat.cpp:291:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  291 |       { fileout.string("R(li-1)",15);
      |                        ^~~~~~~~~
radmat.cpp:292:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  292 |         fileout.string("phase(li-1)",12,1);
      |                        ^~~~~~~~~~~~~
radmat.cpp: In member function ‘int Radialmatrix::kconfine(float*, float*)’:
radmat.cpp:320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  320 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |     ^~
radmat.cpp:320:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  320 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |                             ^~
radmat.cpp:321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  321 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |     ^~
radmat.cpp:321:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  321 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |                                   ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o rotamat.o rotamat.cpp
rotamat.cpp: In member function ‘int Rotamat::makecurve()’:
rotamat.cpp:285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  285 |   if (rotfac) delete [] rotfac; if (rotcoef) delete [] rotcoef;
      |   ^~
rotamat.cpp:285:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 |   if (rotfac) delete [] rotfac; if (rotcoef) delete [] rotcoef;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrun.o mscdrun.cpp
mscdrun.cpp: In destructor ‘Mscdrun::~Mscdrun()’:
mscdrun.cpp:27:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   27 |   if (finname) delete [] finname; if (foutname) delete [] foutname;
      |   ^~
mscdrun.cpp:27:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   27 |   if (finname) delete [] finname; if (foutname) delete [] foutname;
      |                                   ^~
mscdrun.cpp:28:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   28 |   if (rmfile) delete [] rmfile; if (psfile) delete [] psfile;
      |   ^~
mscdrun.cpp:28:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   28 |   if (rmfile) delete [] rmfile; if (psfile) delete [] psfile;
      |                                 ^~
mscdrun.cpp:29:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   29 |   if (lakatom) delete [] lakatom; if (layatom) delete [] layatom;
      |   ^~
mscdrun.cpp:29:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   29 |   if (lakatom) delete [] lakatom; if (layatom) delete [] layatom;
      |                                   ^~
mscdrun.cpp:30:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   30 |   if (pdnum) delete [] pdnum; if (tevenadd) delete [] tevenadd;
      |   ^~
mscdrun.cpp:30:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   30 |   if (pdnum) delete [] pdnum; if (tevenadd) delete [] tevenadd;
      |                               ^~
mscdrun.cpp:31:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   31 |   if (tevendim) delete [] tevendim; if (tevencut) delete [] tevencut;
      |   ^~
mscdrun.cpp:31:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   31 |   if (tevendim) delete [] tevendim; if (tevencut) delete [] tevencut;
      |                                     ^~
mscdrun.cpp:33:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   33 |   if (laycell) delete [] laycell; if (layorig) delete [] layorig;
      |   ^~
mscdrun.cpp:33:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   33 |   if (laycell) delete [] laycell; if (layorig) delete [] layorig;
      |                                   ^~
mscdrun.cpp:34:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   34 |   if (layfit)  delete [] layfit; if (laxcell) delete [] laxcell;
      |   ^~
mscdrun.cpp:34:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   34 |   if (layfit)  delete [] layfit; if (laxcell) delete [] laxcell;
      |                                  ^~
mscdrun.cpp:35:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   35 |   if (laxorig) delete [] laxorig; if (fitvars) delete [] fitvars;
      |   ^~
mscdrun.cpp:35:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   35 |   if (laxorig) delete [] laxorig; if (fitvars) delete [] fitvars;
      |                                   ^~
mscdrun.cpp:36:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   36 |   if (aweight) delete [] aweight; if (magamp) delete [] magamp;
      |   ^~
mscdrun.cpp:36:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   36 |   if (aweight) delete [] aweight; if (magamp) delete [] magamp;
      |                                   ^~
mscdrun.cpp:37:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   37 |   if (patom) delete [] patom; if (tevenpar) delete [] tevenpar;
      |   ^~
mscdrun.cpp:37:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   37 |   if (patom) delete [] patom; if (tevenpar) delete [] tevenpar;
      |                               ^~
mscdrun.cpp:38:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   38 |   if (devenpar) delete [] devenpar; if (talpha) delete [] talpha;
      |   ^~
mscdrun.cpp:38:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   38 |   if (devenpar) delete [] devenpar; if (talpha) delete [] talpha;
      |                                     ^~
mscdrun.cpp:39:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   39 |   if (tgamma) delete [] tgamma; if (fithist) delete [] fithist;
      |   ^~
mscdrun.cpp:39:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   39 |   if (tgamma) delete [] tgamma; if (fithist) delete [] fithist;
      |                                 ^~
mscdrun.cpp:45:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   45 |   if (radmatrix) delete radmatrix; if (meanpath) delete meanpath;
      |   ^~
mscdrun.cpp:45:36: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   45 |   if (radmatrix) delete radmatrix; if (meanpath) delete meanpath;
      |                                    ^~
mscdrun.cpp:47:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   47 |   if (evenmat) delete evenmat; if (termmat) delete termmat;
      |   ^~
mscdrun.cpp:47:32: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   47 |   if (evenmat) delete evenmat; if (termmat) delete termmat;
      |                                ^~
mscdrun.cpp:49:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   49 |   if (hanka) delete hanka; if (hankb) delete hankb;
      |   ^~
mscdrun.cpp:49:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   49 |   if (hanka) delete hanka; if (hankb) delete hankb;
      |                            ^~
mscdrun.cpp: In member function ‘int Mscdrun::receivejobs()’:
mscdrun.cpp:539:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  539 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp:544:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  544 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp: In member function ‘int Mscdrun::pasupimport(char*, int, int)’:
mscdrun.cpp:648:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  648 |     else if ((length<0)||(kb<sizeof(int))||(length!=kb)) ka=-1;
      |                           ~~^~~~~~~~~~~~
mscdrun.cpp: In member function ‘int Mscdrun::receivesup(int)’:
mscdrun.cpp:757:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  757 |       if ((error==0)&&(recsize>sizeof(int)))
      |                        ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp:771:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  771 |         if ((error==0)&&(recsize>sizeof(int)))
      |                          ~~~~~~~^~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdruna.o mscdruna.cpp
mscdruna.cpp: In member function ‘int Mscdrun::readparameter()’:
mscdruna.cpp:90:17: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   90 |   char *unknown="unknown";
      |                 ^~~~~~~~~
mscdruna.cpp:503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  503 |   if (membuf) delete [] membuf; if (namebuf) delete [] namebuf;
      |   ^~
mscdruna.cpp:503:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  503 |   if (membuf) delete [] membuf; if (namebuf) delete [] namebuf;
      |                                 ^~
mscdruna.cpp:504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  504 |   if (fnamebuf) delete [] fnamebuf; if (expfile) delete [] expfile;
      |   ^~
mscdruna.cpp:504:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  504 |   if (fnamebuf) delete [] fnamebuf; if (expfile) delete [] expfile;
      |                                     ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrunb_not_reanalize.o mscdrunb_not_reanalize.cpp
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::paradisp()’:
mscdrunb_not_reanalize.cpp:29:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   29 |     { conout.string("  psfile: "); conout.string(psfile,20);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:41:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   41 |     { conout.string("  rmfile: "); conout.string(rmfile,20);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:43:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   43 |     conout.string("  pefile: "); conout.string(foutname,20,2);
      |                   ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:46:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   46 |     conout.string("scanmode dispmode tolerance",0,2);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:49:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   49 |     conout.string("   linitial lnum msorder raorder",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:52:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   52 |     conout.string("   totlayer finals fitmath trymax",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:55:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   55 |     conout.string("kmin kmax kstep",0,1);
      |                   ^~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:58:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   58 |     conout.string("dthetamin dthetamax dthetastep",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:61:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   61 |     conout.string("dphimin dphimax dphistep",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:64:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   64 |     conout.string("ltheta lphi beampol",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:67:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   67 |     conout.string("mtheta mphi accepang",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:70:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   70 |     conout.string("radius depth lattice",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:75:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   75 |     conout.string("   valence bandgap density mweight",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:80:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   80 |     conout.string("effective weight for kind 1-");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:86:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   86 |     conout.string("magnetization amplitude for kind 1-");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:94:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   94 |     conout.string(" vinner tdebye tsample pathcut",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:99:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   99 |     conout.string("fitting try for vinner, tdebye and lattice",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:107:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  107 |       conout.string("   layer katom emiter atoms",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:109:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  109 |       conout.string("   latoma(x1,x2) latomb(y1,y2)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:114:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  114 |       conout.string("   unita(len,ang) unitb(len,ang)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:119:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  119 |       conout.string("origin(len ang spacing)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:124:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  124 |       conout.string("fitting try for spacing, length and units",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:137:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  137 |       conout.string("     no katom emiter x y z",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:141:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  141 |         conout.string("     nearest and farrest bonding length",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:157:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  157 |       conout.string("   no k dtheta dphi ltheta lphi",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:165:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  165 |     conout.string("   linitial lnum msorder raorder",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:168:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  168 |     conout.string("   natoms emiters katoms nlayer",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:171:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  171 |     conout.string("   scanmode nfit nfollow npoint",0,2);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::paradisplog()’:
mscdrunb_not_reanalize.cpp:185:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  185 |     { flogout->string("  psfile: "); flogout->string(psfile,20);
      |                       ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:197:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  197 |     { flogout->string("  rmfile: "); flogout->string(rmfile,20);
      |                       ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:199:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  199 |     flogout->string("  pefile: "); flogout->string(foutname,20,2);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:203:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |     flogout->string("scanmode dispmode tolerance",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:206:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  206 |     flogout->string("   linitial lnum msorder raorder",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:209:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  209 |     flogout->string("   totlayer finals fitmath trymax",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:213:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  213 |     flogout->string("kmin kmax kstep",0,1);
      |                     ^~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:217:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  217 |     flogout->string("dthetamin dthetamax dthetastep",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:221:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  221 |     flogout->string("dphimin dphimax dphistep",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:225:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  225 |     flogout->string("ltheta lphi beampol",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:229:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  229 |     flogout->string("mtheta mphi accepang",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:233:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  233 |     flogout->string("radius depth lattice",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:238:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  238 |     flogout->string("   valence bandgap density mweight",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:243:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  243 |     flogout->string("effective weight for kind 1-");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:249:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  249 |     flogout->string("magnetization amplitude for kind 1-");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:257:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  257 |     flogout->string(" vinner tdebye tsample pathcut",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:262:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  262 |     flogout->string("fitting try for vinner, tdebye and lattice",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:270:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  270 |       flogout->string("   layer katom emiter atoms",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:272:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  272 |       flogout->string("   latoma(x1,x2) latomb(y1,y2)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:277:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  277 |       flogout->string("   unita(len,ang) unitb(len,ang)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:282:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  282 |       flogout->string("origin(len ang spacing)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:287:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       flogout->string("fitting try for spacing, length and units",0,2);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:299:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  299 |       flogout->string("     no katom emiter x y z",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:303:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  303 |         flogout->string("     nearest and farrest bonding length",0,1);
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:319:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  319 |       flogout->string("   no k dtheta dphi ltheta lphi",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:326:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  326 |     flogout->string("   linitial lnum msorder raorder",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:329:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  329 |     flogout->string("   natoms emiters katoms nlayer",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:332:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  332 |     flogout->string("   scanmode nfit nfollow npoint",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::symtrivert()’:
mscdrunb_not_reanalize.cpp:361:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  361 |     conout.string("Analyzing, please wait ...",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:419:29: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  419 |               conout.string("Reanalyzing, please wait ...",0,1);
      |                             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:576:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  576 |       conout.string("   nsymm mscatter distribute percentages",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:579:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  579 |       conout.string("   ntrieven nscorse their percents",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:584:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  584 |   { flogout->string("Analyzed symmetries for ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:585:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  585 |     flogout->integer(analyze); flogout->string(" times",0,1);
      |                                                ^~~~~~~~
mscdrunb_not_reanalize.cpp:588:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  588 |     flogout->string("   nsymm mscatter distribute percentages",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:591:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  591 |     flogout->string("   ntrieven nscorse their percents",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::symdblvert()’:
mscdrunb_not_reanalize.cpp:671:37: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  671 |     conout.space(19); conout.string("ndbleven percentage",0,1);
      |                                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:676:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  676 |     flogout->space(19); flogout->string("ndbleven percentage",0,1);
      |                                         ^~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrunc.o mscdrunc.cpp
mscdrunc.cpp: In member function ‘int Mscdrun::alltrievent(int, float)’:
mscdrunc.cpp:265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  265 |       if (xd<xe) xd=xe; if (xc<xd) xc=xd;
      |       ^~
mscdrunc.cpp:265:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  265 |       if (xd<xe) xd=xe; if (xc<xd) xc=xd;
      |                         ^~
mscdrunc.cpp:266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  266 |       if (xb<xc) xb=xc; if (xa<xb) xa=xb;
      |       ^~
mscdrunc.cpp:266:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  266 |       if (xb<xc) xb=xc; if (xa<xb) xa=xb;
      |                         ^~
mscdrunc.cpp: In member function ‘int Mscdrun::precutable()’:
mscdrunc.cpp:287:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       conout.string("calculating vibrational coefficients ...",0,16+1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:289:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  289 |       flogout->string("calculating vibrational coefficients ...",
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |     if (vibrate) delete vibrate; vibrate=new Vibration;
      |     ^~
mscdrunc.cpp:291:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |     if (vibrate) delete vibrate; vibrate=new Vibration;
      |                                  ^~~~~~~
mscdrunc.cpp:298:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  298 |       conout.string("calculating rotational matrices ...",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:300:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |       flogout->string("calculating rotational matrices ...",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:301:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  301 |     if (evenmat) delete evenmat; evenmat=new Rotamat;
      |     ^~
mscdrunc.cpp:301:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  301 |     if (evenmat) delete evenmat; evenmat=new Rotamat;
      |                                  ^~~~~~~
mscdrunc.cpp:312:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  312 |       conout.string("calculating spherical expension coefficients ...",
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:315:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  315 |       "calculating spherical expension coefficients ...",0,2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |     if (hanka) delete hanka; if (hankb) delete hankb;
      |     ^~
mscdrunc.cpp:317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |     if (hanka) delete hanka; if (hankb) delete hankb;
      |                              ^~
mscdrunc.cpp:360:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  360 |       conout.string("setting up pre-cut table ...",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:362:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  362 |       flogout->string("setting up pre-cut table ...",0,2);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:465:31: warning: statement has no effect [-Wunused-value]
  465 |           else if (m>8) eledim>>24;
      |                         ~~~~~~^~~~
mscdrunc.cpp:553:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  553 |     { conout.string("This job allocated ",0,16);
      |                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:555:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  555 |       conout.string(" megabytes memory in ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:557:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  557 |       if (numpe<2) conout.string(" processor",0,2);
      |                                  ^~~~~~~~~~~~
mscdrunc.cpp:558:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  558 |       else conout.string(" processors",0,2);
      |                          ^~~~~~~~~~~~~
mscdrunc.cpp:564:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  564 |     conout.string("   trieven dbleven corse trielem",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:570:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  570 |       conout.string("   event percent (msorder=");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:571:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  571 |       conout.integer(m); conout.string(")",0,1);
      |                                        ^~~
mscdrunc.cpp:576:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  576 |     conout.string("   unique event percent",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:586:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  586 |     { flogout->string("This job allocated ",0,16);
      |                       ^~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:588:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  588 |       flogout->string(" megabytes memory in ");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:590:36: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  590 |       if (numpe<2) flogout->string(" processor",0,2);
      |                                    ^~~~~~~~~~~~
mscdrunc.cpp:591:28: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  591 |       else flogout->string(" processors",0,2);
      |                            ^~~~~~~~~~~~~
mscdrunc.cpp:598:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  598 |       flogout->string("   event percent (msorder=");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:599:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  599 |       flogout->integer(m); flogout->string(")",0,1);
      |                                            ^~~
mscdrunc.cpp:602:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  602 |     flogout->string("   unique event percent",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  607 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |   ^~
mscdrunc.cpp:607:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  607 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |                             ^~
mscdrunc.cpp:612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  612 |   if (talpha) delete [] talpha; if (tgamma) delete [] tgamma;
      |   ^~
mscdrunc.cpp:612:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  612 |   if (talpha) delete [] talpha; if (tgamma) delete [] tgamma;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrund.o mscdrund.cpp
mscdrund.cpp: In member function ‘int Mscdrun::intensity(int, float*, float*, float*, float*)’:
mscdrund.cpp:288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  288 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |   ^~
mscdrund.cpp:288:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  288 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |                             ^~
mscdrund.cpp: In member function ‘int Mscdrun::dispintensity(int, int, int, float, float, float, float, float, float)’:
mscdrund.cpp:306:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  306 |     if (msorder>1) conout.string("Multiple scattering",0,16);
      |                                  ^~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:307:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  307 |     else if (msorder==1) conout.string("Single scattering",0,16);
      |                                        ^~~~~~~~~~~~~~~~~~~
mscdrund.cpp:308:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  308 |     else conout.string("Photoemission",0,16);
      |                        ^~~~~~~~~~~~~~~
mscdrund.cpp:309:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  309 |     conout.string(" calculation (msorder=");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:310:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  310 |     conout.integer(msorder); conout.string(" raorder=");
      |                                            ^~~~~~~~~~~
mscdrund.cpp:311:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  311 |     conout.integer(raorder); conout.string(")",0,1);
      |                                            ^~~
mscdrund.cpp:315:36: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  315 |   { if (msorder>1) flogout->string("Multiple scattering",0,16);
      |                                    ^~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:316:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  316 |     else if (msorder==1) flogout->string("Single scattering",0,16);
      |                                          ^~~~~~~~~~~~~~~~~~~
mscdrund.cpp:317:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  317 |     else flogout->string("Photoemission",0,16);
      |                          ^~~~~~~~~~~~~~~
mscdrund.cpp:318:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  318 |     flogout->string(" calculation (msorder=");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:319:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  319 |     flogout->integer(msorder); flogout->string(" raorder=");
      |                                                ^~~~~~~~~~~
mscdrund.cpp:320:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  320 |     flogout->integer(raorder); flogout->string(")",0,1);
      |                                                ^~~
mscdrund.cpp:328:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  328 |     conout.string("deviation theta and phi",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:339:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  339 |       conout.string(" general vinner tdebye lattice",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:348:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  348 |         conout.string("   layer spacing length units",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:355:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  355 |     flogout->string("deviation theta and phi",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:367:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  367 |       flogout->string(" general vinner tdebye lattice",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:376:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  376 |         flogout->string("   layer spacing length units",0,1);
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:384:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  384 |     conout.floating(job,8.2f,256+16); conout.string("% of job ");
      |                                                     ^~~~~~~~~~~
mscdrund.cpp:385:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:386:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:390:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  390 |     conout.floating(job,8.2f,256+16); conout.string("% of try ");
      |                                                     ^~~~~~~~~~~
mscdrund.cpp:391:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |     conout.integer(trynum+1,3); conout.string(", job ");
      |                                               ^~~~~~~~
mscdrund.cpp:392:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  392 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:393:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  393 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:396:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  396 |   { flogout->floating(job,8.2f,256+16); flogout->string("% of job ");
      |                                                         ^~~~~~~~~~~
mscdrund.cpp:397:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  397 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:398:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  398 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:402:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  402 |   { flogout->floating(job,8.2f,256+16); flogout->string("% of try ");
      |                                                         ^~~~~~~~~~~
mscdrund.cpp:403:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  403 |     flogout->integer(trynum+1,3); flogout->string(", job ");
      |                                                   ^~~~~~~~
mscdrund.cpp:404:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  404 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:405:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  405 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:411:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |     conout.string("number",6,16); conout.string("kout",15);
      |                   ^~~~~~~~
mscdrund.cpp:411:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |     conout.string("number",6,16); conout.string("kout",15);
      |                                                 ^~~~~~
mscdrund.cpp:412:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |     conout.string("theta",15); conout.string("phi",15);
      |                   ^~~~~~~
mscdrund.cpp:412:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |     conout.string("theta",15); conout.string("phi",15);
      |                                              ^~~~~
mscdrund.cpp:413:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  413 |     conout.string("intensity",15,1);
      |                   ^~~~~~~~~~~
mscdrund.cpp:422:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  422 |     conout.floating(job,8.2f,256); conout.string("% of job ");
      |                                                  ^~~~~~~~~~~
mscdrund.cpp:423:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  423 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:424:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  424 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:428:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  428 |     conout.floating(job,8.2f,256); conout.string("% of try ");
      |                                                  ^~~~~~~~~~~
mscdrund.cpp:429:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  429 |     conout.integer(trynum+1,4); conout.string(", job ");
      |                                               ^~~~~~~~
mscdrund.cpp:430:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  430 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:431:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  431 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:434:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |   { flogout->string("number",6,16); flogout->string("kout",15);
      |                     ^~~~~~~~
mscdrund.cpp:434:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |   { flogout->string("number",6,16); flogout->string("kout",15);
      |                                                     ^~~~~~
mscdrund.cpp:435:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  435 |     flogout->string("theta",15); flogout->string("phi",15);
      |                     ^~~~~~~
mscdrund.cpp:435:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  435 |     flogout->string("theta",15); flogout->string("phi",15);
      |                                                  ^~~~~
mscdrund.cpp:436:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  436 |     flogout->string("intensity",15,1);
      |                     ^~~~~~~~~~~
mscdrund.cpp:445:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  445 |   { flogout->floating(job,8.2f,256); flogout->string("% of job ");
      |                                                      ^~~~~~~~~~~
mscdrund.cpp:446:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  446 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:447:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  447 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:451:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  451 |   { flogout->floating(job,8.2f,256); flogout->string("% of try ");
      |                                                      ^~~~~~~~~~~
mscdrund.cpp:452:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  452 |     flogout->integer(trynum+1,4); flogout->string(", job ");
      |                                                   ^~~~~~~~
mscdrund.cpp:453:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  453 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:454:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  454 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:460:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  460 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:461:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  461 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:462:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  462 |     conout.string(" completed.",0,1);
      |                   ^~~~~~~~~~~~~
mscdrund.cpp:466:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  466 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:467:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  467 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:468:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  468 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:474:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  474 |     conout.string("TRY ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:475:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  475 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:476:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  476 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:477:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  477 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:483:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  483 |     conout.string("Try ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:484:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  484 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:485:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  485 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:486:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  486 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:492:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  492 |     conout.string("try ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:493:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  493 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:494:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  494 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:495:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  495 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:501:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  501 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:502:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  502 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:503:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  503 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:512:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  512 |   { flogout->string("job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrund.cpp:513:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  513 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:514:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  514 |     flogout->string(" completed.",0,1);
      |                     ^~~~~~~~~~~~~
mscdrund.cpp:519:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  519 |   { flogout->string("job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrund.cpp:520:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  520 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:521:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  521 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:528:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  528 |   { flogout->string("TRY ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:529:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  529 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:530:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  530 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:531:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  531 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:538:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  538 |   { flogout->string("Try ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:539:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  539 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:540:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  540 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:541:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  541 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:548:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  548 |   { flogout->string("try ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:549:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  549 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:550:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  550 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:551:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  551 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrune.o mscdrune.cpp
mscdrune.cpp: In member function ‘int Mscdrun::fitarpefs(Mscdrun*)’:
mscdrune.cpp:178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  178 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
mscdrune.cpp:178:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  178 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
mscdrune.cpp:179:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  179 |   if (ybest) delete [] ybest; if (abest) delete [] abest;
      |   ^~
mscdrune.cpp:179:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  179 |   if (ybest) delete [] ybest; if (abest) delete [] abest;
      |                               ^~
mscdrune.cpp:180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  180 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
mscdrune.cpp:180:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  180 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
mscdrune.cpp: In member function ‘int Mscdrun::savecurve(char*, char*)’:
mscdrune.cpp:207:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  207 |         fileout.string("datakind beginning-row linenumbers",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:208:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  208 |       else fileout.string("datakind beginning-row multi-curves",0,1);
      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:210:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  210 |       fileout.string(" angle-resolved photoemission extended fine");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:211:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  211 |       fileout.string(" structure (ARPEFS)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:212:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  212 |       fileout.string(" multiple scattering calculation of ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:214:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  214 |       fileout.string(" calculated by ");
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:215:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  215 |       fileout.string(username); fileout.string(" on ");
      |                                                ^~~~~~
mscdrune.cpp:218:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  218 |       fileout.string("   initial angular momentum (li) = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:219:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  219 |       fileout.integer(linitial); fileout.string("   msorder= ");
      |                                                 ^~~~~~~~~~~~~~
mscdrune.cpp:220:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  220 |       fileout.integer(msorder,2); fileout.string("   raorder=");
      |                                                  ^~~~~~~~~~~~~
mscdrune.cpp:223:9: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  223 |         "   photon polarization angle (polar,azimuth) =(");
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:226:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  226 |       fileout.string(" ) (deg)",0,1);
      |                      ^~~~~~~~~~
mscdrune.cpp:227:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  227 |       fileout.string("   radius, depth and lattice constant=",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:228:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  228 |       fileout.floating(radius,6.1f,256); fileout.string(",");
      |                                                         ^~~
mscdrune.cpp:229:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  229 |       fileout.floating(depth,6.1f,256); fileout.string(" and ");
      |                                                        ^~~~~~~
mscdrune.cpp:231:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  231 |       fileout.string(" angstrom",0,1);
      |                      ^~~~~~~~~~~
mscdrune.cpp:232:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  232 |       fileout.string("   cluster size="); fileout.integer(natoms,4);
      |                      ^~~~~~~~~~~~~~~~~~
mscdrune.cpp:233:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  233 |       fileout.string(" atoms and spacings=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:238:38: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  238 |       if (totlayer>3) fileout.string(" angs",0,1);
      |                                      ^~~~~~~
mscdrune.cpp:239:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  239 |       else fileout.string(" angstrom",0,1);
      |                           ^~~~~~~~~~~
mscdrune.cpp:240:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  240 |       fileout.string("   inner potential=");
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:242:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  242 |       fileout.string(" V  debye and sample temperature=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:243:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  243 |       fileout.integer((int)tdebye,4); fileout.string(",");
      |                                                      ^~~
mscdrune.cpp:244:55: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  244 |       fileout.integer((int)tsample,4); fileout.string(" K",0,1);
      |                                                       ^~~~
mscdrune.cpp:246:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  246 |       { fileout.string("   number of valence electrons=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:248:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  248 |         fileout.string("     bandgap energy=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:250:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  250 |         fileout.string(" eV",0,1);
      |                        ^~~~~
mscdrune.cpp:253:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  253 |       { fileout.string("   electron attenuation length=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:255:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  255 |         fileout.string("*energy^");
      |                        ^~~~~~~~~~
mscdrune.cpp:257:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  257 |         fileout.string(" angstrom",0,1);
      |                        ^~~~~~~~~~~
mscdrune.cpp:260:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  260 |       { fileout.string("   electron wave attenuation due to inelastic");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:261:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  261 |         fileout.string(" process not considered",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:263:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  263 |       fileout.string("   density of bulk=");
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:265:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  265 |       fileout.string(" g/cm3     molecular weight=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:267:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  267 |       fileout.string(" amu",0,1);
      |                      ^~~~~~
mscdrune.cpp:269:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  269 |       { fileout.string("   effective weight=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:271:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  271 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
mscdrune.cpp:274:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  274 |       { fileout.string("   effective weight for kind 1-");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:275:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  275 |         fileout.integer(katoms); fileout.string(" =");
      |                                                 ^~~~
mscdrune.cpp:277:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  277 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
mscdrune.cpp:279:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  279 |       fileout.string("   half aperture angle= ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:280:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  280 |       fileout.floating(accepang,6.1f,256); fileout.string(" deg");
      |                                                           ^~~~~~
mscdrune.cpp:281:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  281 |       fileout.space(12); fileout.string("pathcut= ");
      |                                         ^~~~~~~~~~~
mscdrune.cpp:288:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |         fileout.string("   photoemission energy scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:290:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  290 |         fileout.string("   photoemission energy scan hologram",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:292:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  292 |         fileout.string("   photoemission polar scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:294:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  294 |         fileout.string("   photoemission azimuthal scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:296:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  296 |         fileout.string("   photoelectron diffraction curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:298:9: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  298 |         "     parameters: curve point theta phi weightc weighte",0,1);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:299:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  299 |       fileout.string("     columns: ");
      |                      ^~~~~~~~~~~~~~~~
mscdrune.cpp:300:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |       if ((scanuni==1)||(scanuni==5)) fileout.string("wavevec ");
      |                                                      ^~~~~~~~~~
mscdrune.cpp:301:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  301 |       else if ((scanuni==2)||(scanuni==6)) fileout.string("theta ");
      |                                                           ^~~~~~~~
mscdrune.cpp:302:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  302 |       else if ((scanuni==3)||(scanuni==7)) fileout.string("phi ");
      |                                                           ^~~~~~
mscdrune.cpp:303:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  303 |       else if ((scanuni==4)||(scanuni==8)) fileout.string("theta phi ");
      |                                                           ^~~~~~~~~~~~
mscdrune.cpp:304:37: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  304 |       if (scanten<3) fileout.string("intensity background chical");
      |                                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:305:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  305 |       else if (scanten<5) fileout.string("intlcp intrcp asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:306:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  306 |       else if (scanten<7) fileout.string("intmup intmdown asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:307:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  307 |       else if (scanten<9) fileout.string("intsup intsdown asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:308:52: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  308 |       if ((fitmode>0)&&(scanten<3)) fileout.string(" chiexp");
      |                                                    ^~~~~~~~~
mscdrune.cpp:309:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  309 |       else if ((fitmode>0)&&(scanten<9)) fileout.string(" asymexp");
      |                                                         ^~~~~~~~~~
mscdrune.cpp:314:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  314 |       fileout.string("  ncurve npoint nk ntheta nphi nangle",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:391:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |     { fileout.string("fitted parameters ( nfit = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:392:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  392 |       fileout.integer(nfit,2); fileout.string("  nfollow = ");
      |                                               ^~~~~~~~~~~~~~
mscdrune.cpp:393:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  393 |       fileout.integer(nfollow,2); fileout.string("  )",0,1);
      |                                                  ^~~~~
mscdrune.cpp:394:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  394 |       fileout.string("   r-factora = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:396:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  396 |       fileout.string("   r-factorb = ");
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:402:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  402 |       fileout.string("general vinner tdebye lattice",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:409:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  409 |         fileout.string("  layer spacing length units",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:411:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |       fileout.space(43); fileout.string("unit: lattice constant",0,2);
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:412:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |       fileout.string("   r-factora=sum((chic-chie)*(chic-chie))");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:413:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  413 |       fileout.string("/(sum(chic*chic+chie*chie)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:414:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  414 |       fileout.string("   r-factorb=sum(chic*chic-chie*chie)");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:415:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  415 |       fileout.string("/sum(chic*chic+chie*chie)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:420:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  420 |     { fileout.string("fitting history (",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~
mscdrune.cpp:421:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  421 |       fileout.integer(trynum,3); fileout.string(" trials )",0,2);
      |                                                 ^~~~~~~~~~~
mscdrune.cpp:426:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  426 |         fileout.string("  factors = ");
      |                        ^~~~~~~~~~~~~~
mscdrune.cpp:430:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  430 |         if (afitmath>2) fileout.string("Netsearch",0,1);
      |                                        ^~~~~~~~~~~
mscdrune.cpp:431:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  431 |         else if (afitmath==2) fileout.string("Downhill",0,1);
      |                                              ^~~~~~~~~~
mscdrune.cpp:432:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  432 |         else if (afitmath==1) fileout.string("Marquardt",0,1);
      |                                              ^~~~~~~~~~~
mscdrune.cpp:434:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |         fileout.space(6); fileout.string("  fitvars = ");
      |                                          ^~~~~~~~~~~~~~
mscdrune.cpp:451:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  451 |       "processor time distribution (in seconds or percent)",0,32+2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:452:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  452 |     conout.string(" pid computation   sending  receiving      idle");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:453:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  453 |     conout.string(" comput send receiv  idle",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:458:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  458 |       else conout.string(" sum");
      |                          ^~~~~~
mscdrune.cpp:465:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  465 |     conout.string("Job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrune.cpp:466:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  466 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrune.cpp:467:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  467 |     conout.string(" total time of "); conout.integer(numpe,3);
      |                   ^~~~~~~~~~~~~~~~~
mscdrune.cpp:468:32: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  468 |     if (numpe<2) conout.string(" processor = ");
      |                                ^~~~~~~~~~~~~~~
mscdrune.cpp:469:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  469 |     else conout.string(" processors = ");
      |                        ^~~~~~~~~~~~~~~~
mscdrune.cpp:471:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  471 |     conout.string(" seconds",0,1);
      |                   ^~~~~~~~~~
mscdrune.cpp:475:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  475 |       "processor time distribution (in seconds or percent)",0,32+2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:476:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  476 |     flogout->string(" pid computation   sending  receiving      idle");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:477:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  477 |     flogout->string(" comput send receiv  idle",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:482:28: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  482 |       else flogout->string(" sum");
      |                            ^~~~~~
mscdrune.cpp:489:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  489 |     flogout->string("Job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrune.cpp:490:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  490 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrune.cpp:491:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  491 |     flogout->string(" total time of "); flogout->integer(numpe,3);
      |                     ^~~~~~~~~~~~~~~~~
mscdrune.cpp:492:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  492 |     if (numpe<2) flogout->string(" processor = ");
      |                                  ^~~~~~~~~~~~~~~
mscdrune.cpp:493:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  493 |     else flogout->string(" processors = ");
      |                          ^~~~~~~~~~~~~~~~
mscdrune.cpp:495:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  495 |     flogout->string(" seconds",0,1);
      |                     ^~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdjob.o mscdjob.cpp
mscdjob.cpp: In member function ‘int Mscdjob::receivejobs()’:
mscdjob.cpp:141:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  141 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdjob.cpp: In member function ‘int Mscdjob::takejob(char*)’:
mscdjob.cpp:273:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  273 |   if (membuf) delete [] membuf; if (filebuf) delete [] filebuf;
      |   ^~
mscdjob.cpp:273:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  273 |   if (membuf) delete [] membuf; if (filebuf) delete [] filebuf;
      |                                 ^~
mscdjob.cpp: In member function ‘int Mscdjob::listjob(char*, char*)’:
mscdjob.cpp:300:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |     conout.string(" Job report",0,1);
      |                   ^~~~~~~~~~~~~
mscdjob.cpp:305:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  305 |       { conout.string("       result saved in file ");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:314:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  314 |     conout.string(" Job report saved in file mscdout.txt",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:316:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  316 |       conout.string(" Messages saved in file mscdlist.txt",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:321:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  321 |     flogout->string(" Job report",0,1);
      |                     ^~~~~~~~~~~~~
mscdjob.cpp:326:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  326 |       { flogout->string("       result saved in file ");
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:335:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  335 |     flogout->string(" Job report saved in file mscdout.txt",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:337:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  337 |       flogout->string(" Messages saved in file mscdlist.txt",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:351:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  351 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:354:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  354 |       fileout.string(" Job report",0,1);
      |                      ^~~~~~~~~~~~~
mscdjob.cpp:360:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  360 |         { fileout.string("       result saved in file ");
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp: In member function ‘int Mscdjob::execute(char*)’:
mscdjob.cpp:385:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |         conout.string("Job "); conout.integer(jobnum+1,3);
      |                       ^~~~~~
mscdjob.cpp:386:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |         conout.string(" of "); conout.integer(jobtotal,3,1);
      |                       ^~~~~~
mscdjob.cpp:390:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  390 |         flogout->string("Job "); flogout->integer(jobnum+1,3);
      |                         ^~~~~~
mscdjob.cpp:391:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |         flogout->string(" of "); flogout->integer(jobtotal,3,1);
      |                         ^~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdmain.o mscdmain.cpp
mscdmain.cpp: In function ‘int main(int, char**)’:
mscdmain.cpp:17:32: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   17 |   userinfo.loadparameter(1.37f,"MSCD",
      |                                ^~~~~~
mscdmain.cpp:18:5: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   18 |     "Yufeng Chen and Michel A Van Hove",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdmain.cpp:19:5: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   19 |     "Calculation of photoelectron diffraction and dichroism",machine);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdmain.cpp:28:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   28 |     if ((error==0)&&(argc<2)) error=mscdjob.takejob("mscdin.txt");
      |                                                     ^~~~~~~~~~~~
mscdmain.cpp:46:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   46 |   { if (error==0) error=mscdjob.listjob("mscdout.txt",userinfo.usermsg);
      |                                         ^~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o jobtime.o jobtime.cpp
jobtime.cpp: In member function ‘int Jobtime::timestamp(Textout&)’:
jobtime.cpp:115:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  115 |     textout.string("This calculation ",0,16);
      |                    ^~~~~~~~~~~~~~~~~~~
jobtime.cpp:116:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  116 |     if ((timecpu<0.0)||(timecpu>2.0e7)) textout.string("was made on ");
      |                                                        ^~~~~~~~~~~~~~
jobtime.cpp:118:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  118 |     { k=(int)(timecpu+0.5); textout.string("took ");
      |                                            ^~~~~~~
jobtime.cpp:119:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  119 |       textout.integer(k,4); textout.string(" processor seconds on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:122:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  122 |     { k=(int)(timecpu/60.0+0.5); textout.string("took ");
      |                                                 ^~~~~~~
jobtime.cpp:123:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  123 |       textout.integer(k,4); textout.string(" processor minutes on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:126:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  126 |     { k=(int)(timecpu/3600.0+0.5); textout.string("took ");
      |                                                   ^~~~~~~
jobtime.cpp:127:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  127 |       textout.integer(k,4); textout.string(" processor hours on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:130:52: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  130 |     { k=(int)(timecpu/8.64e4+0.5);  textout.string("took ");
      |                                                    ^~~~~~~
jobtime.cpp:131:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  131 |       textout.integer(k,4); textout.string(" processor days on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:134:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  134 |     textout.string("     starting on ");
      |                    ^~~~~~~~~~~~~~~~~~~
jobtime.cpp:136:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  136 |     textout.string("   and ending on ");
      |                    ^~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o userCluster.o userCluster.cpp
mpic++  -O3 -std=c++98 -Wall userinfo.o userutil.o cartesia.o polation.o curvefit.o pdinten.o pdintena.o fcomplex.o msfuncs.o pdchifit.o vibrate.o meanpath.o phase.o radmat.o rotamat.o mscdrun.o mscdruna.o mscdrunb_not_reanalize.o mscdrunc.o mscdrund.o mscdrune.o mscdjob.o mscdmain.o jobtime.o userCluster.o -o randmscd_parallel
--- Cleaning and Compiling 'phsh0' ---
gfortran -O3  -c -o abinitio.o abinitio.f
abinitio.f:17:72:

   17 |         do 10 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1)
abinitio.f:37:72:

   37 |         do 100 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
gfortran -O3  -c -o atsolve.o atsolve.f
gfortran -O3  -c -o augment.o augment.f
gfortran -O3  -c -o clebschgordan.o clebschgordan.f
clebschgordan.f:32:72:

   32 |         do 100 l2=0,l1
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:34:72:

   34 |         do 100 m1=-l1,l1
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:35:72:

   35 |         do 100 m2=-l2,l2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:39:72:

   39 |         do 100 l3=lmin,l1+l2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
gfortran -O3  -c -o elsolve.o elsolve.f
gfortran -O3  -c -o exchcorr.o exchcorr.f
gfortran -O3  -c -o fitx0.o fitx0.f
gfortran -O3  -c -o fourier.o fourier.f
gfortran -O3  -c -o getillls.o getillls.f
getillls.f:15:72:

   15 |         DO 1000 M=0,8
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1000 at (1)
getillls.f:16:72:

   16 |         DO 1000 N=M+L,0,-2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1000 at (1)
getillls.f:24:72:

   24 |         DO 500 IB=LL,L
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 500 at (1)
getillls.f:26:72:

   26 |         DO 500 IC=MM,M
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 500 at (1)
gfortran -O3  -c -o getpot.o getpot.f
getpot.f:25:72:

   25 |         do 2100 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2100 at (1)
getpot.f:38:72:

   38 |         do 2990 j=jstart,nel
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2990 at (1)
getpot.f:95:72:

   95 |         do 2550 k=2,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2550 at (1)
gfortran -O3  -c -o hb.o hb.f
gfortran -O3  -c -o hfdisk.o hfdisk.f
gfortran -O3  -c -o initiali.o initiali.f
gfortran -O3  -c -o integ.o integ.f
gfortran -O3  -c -o parabreg.o parabreg.f
gfortran -O3  -c -o phsh0.o phsh0.f
gfortran -O3  -c -o pseudize.o pseudize.f
gfortran -O3  -c -o pseudo.o pseudo.f
pseudo.f:72:72:

   72 |         do 1210 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1210 at (1)
pseudo.f:78:72:

   78 |         do 1212 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1212 at (1)
pseudo.f:90:72:

   90 |         do 1250 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1250 at (1)
gfortran -O3  -c -o setgrid.o setgrid.f
gfortran -O3  -c -o setqmm.o setqmm.f
gfortran -O3 abinitio.o atsolve.o augment.o clebschgordan.o elsolve.o exchcorr.o fitx0.o fourier.o getillls.o getpot.o hb.o hfdisk.o initiali.o integ.o parabreg.o phsh0.o pseudize.o pseudo.o setgrid.o setqmm.o -lm -o phsh0
--- Cleaning and Compiling 'poconv' ---
--- ALL COMPILATIONS COMPLETE ---
PERFORMING CLEANUP OF OLD OUTPUT FILES...
CLEANUP COMPLETE.
EXECUTING PYTHON SCRIPTS...

Procurando pelo parâmetro de rede (lattice) em: input_cluster.txt
Parâmetro de rede encontrado: 4.086 Angstroms. Este valor será usado como multiplicador.
Lendo o arquivo de configuração do cluster: input_cluster.txt
Aplicando fator de rede de 4.086 aos comprimentos.
Encontradas 10 layers para processar.

Lendo a ordem dos elementos do cabeçalho de: input_cluster.txt
Ordem de elementos para mufftin.d definida pelo cabeçalho: [47, 8]

Gerando arquivo de input para o MSCD: cluster.i
Parâmetros de rede calculados (agora baseados em Angstroms):
  - Parâmetro de rede base (a_lat): 2.8890 Å
  - Vetor A (normalizado): (0.8660  , 0.5000  , 0.0000  )
  - Vetor B (normalizado): (0.0000  , 1.0000  , 0.0000  )
Arquivo 'cluster.i' gerado com sucesso.

Montando o arquivo atomic.i a partir dos arquivos atelem.*...
Ordem dos elementos para montagem: Ag, O
-> Executando: cp atelem.Ag atomic.i
-> Executando: cat atelem.O >> atomic.i
Arquivo 'atomic.i' montado com sucesso.
 Slab or Bulk calculation?
 input 1 for Slab or 0 for Bulk
 Input the MTZ value from the substrate calculation
-----------------------------------------------------------------
Conversion of traditional potential data to mscd format
POCONV Version 1.20 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------

Enter name of input traditional format potential file
Enter name of output mscd format potential file
Enter name of the atom (e.g. Copper): Enter symbol of the atom (e.g. Cu): calculated 177 points

Program terminated normally
-----------------------------------------------------------------
Conversion of traditional potential data to mscd format
POCONV Version 1.20 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------

Enter name of input traditional format potential file
Enter name of output mscd format potential file
Enter name of the atom (e.g. Copper): Enter symbol of the atom (e.g. Cu): calculated 178 points

Program terminated normally


       ----------------------------------------------------------------
          Calculation for phase shift and radial matrix element data

                           David A. Shirley's group
                     Pennsylvania State University (PSU)
                 Lawrence Berkeley National Laboratory (LBNL)
            Copyright (c) 1995-1996 DAS group. All rights reserved
       ----------------------------------------------------------------


 Name of input file: psrmin.txt

 phase shift data output in ps1.1.txt                               


 Program terminated normally


       ----------------------------------------------------------------
          Calculation for phase shift and radial matrix element data

                           David A. Shirley's group
                     Pennsylvania State University (PSU)
                 Lawrence Berkeley National Laboratory (LBNL)
            Copyright (c) 1995-1996 DAS group. All rights reserved
       ----------------------------------------------------------------


 Name of input file: psrmin.txt

 binding energy =  335.573 eV

 radial matrix data output in rm1.txt                                 


 Program terminated normally


       ----------------------------------------------------------------
          Calculation for phase shift and radial matrix element data

                           David A. Shirley's group
                     Pennsylvania State University (PSU)
                 Lawrence Berkeley National Laboratory (LBNL)
            Copyright (c) 1995-1996 DAS group. All rights reserved
       ----------------------------------------------------------------


 Name of input file: psrmin.txt

 phase shift data output in ps2.1.txt                               


 Program terminated normally


       ----------------------------------------------------------------
          Calculation for phase shift and radial matrix element data

                           David A. Shirley's group
                     Pennsylvania State University (PSU)
                 Lawrence Berkeley National Laboratory (LBNL)
            Copyright (c) 1995-1996 DAS group. All rights reserved
       ----------------------------------------------------------------


 Name of input file: psrmin.txt

 binding energy =  495.198 eV

 radial matrix data output in rm2.txt                                 


 Program terminated normally
--- Iniciando Etapa 1: Cálculo Bulk (opção 0) ---
Saída do cálculo Bulk:
 Slab or Bulk calculation?
 input 1 for Slab or 0 for Bulk
 If you are interested in adatoms on this substrate
 rerun a slab calculation with the adatoms
 and use this MTZ value as input when asked 
 -1.12277341

+++ Valor MTZ extraído com sucesso: -1.12277341 +++

--- Iniciando Etapa 2: Cálculo Slab (opção 1) ---
Enviando para o programa:
1
-1.12277341

--- Sequência de cálculo concluída com sucesso! ---

--- Iniciando Etapa 3: Divisão do arquivo mufftin.d ---
Encontrados 2 blocos de dados. Iniciando a divisão...
Arquivo 'mufftin1.d' criado com sucesso.
Arquivo 'mufftin2.d' criado com sucesso.
--- Divisão de arquivos concluída. ---

--- Iniciando Etapa 4: Execução do ./poconv ---
Arquivos encontrados para processar: mufftin1.d, mufftin2.d

Processando 'mufftin1.d' -> 'ps1.txt'...
'ps1.txt' criado com sucesso.

Processando 'mufftin2.d' -> 'ps2.txt'...
'ps2.txt' criado com sucesso.
--- Execução do poconv concluída. ---

--- Lendo informações de elementos de input_cluster.txt ---
  - Encontrado elemento 1: Z=47, Orbital=3d, Energia=368
  - Encontrado elemento 2: Z=8, Orbital=1s, Energia=531

--- Iniciando Etapa 5: Geração dos arquivos psrmin ---
Arquivo 'psrmin1.txt' criado com sucesso.
Arquivo 'psrmin2.txt' criado com sucesso.
--- Geração dos arquivos psrmin concluída. ---

--- Iniciando Etapa 6: Execução do ./psrm.x ---

Processando psrmin1.txt...
  - Configurando para Phase Shift (0)...
  - Executando ./psrm.x para Phase Shift...
  - Phase Shift calculado.
  - Configurando para Radial Matrix (1)...
  - Executando ./psrm.x para Radial Matrix...
  - Radial Matrix calculada.

Processando psrmin2.txt...
  - Configurando para Phase Shift (0)...
  - Executando ./psrm.x para Phase Shift...
  - Phase Shift calculado.
  - Configurando para Radial Matrix (1)...
  - Executando ./psrm.x para Radial Matrix...
  - Radial Matrix calculada.

Arquivo temporário 'psrmin.txt' removido.
--- Execução do psrm.x concluída. ---
    741   10    191     datakind begining-row linenumbers
----------------------------------------------------------------
MSCD Version 1.00 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997. All rights reserved
----------------------------------------------------------------

        Ga2O3(100)              input file

un      "Yosef (UFJ-PPGCAS)"    user name
sn      Ga2O3(100)              system name
ps01    ps1.1.txt               input phase shift data file
ps02    ps2.1.txt               input phase shift data file

rm01    rm1.txt               input radial matrix data file
ex      experimentalexample.txt experimental data
pe      teory.out            output photoemission data file


223     10       0.001          scanmode,dispmode,ftolerance
2       0       1       1       linitial,lnum,msorder,raorder
10      0       3       0       layers,finals,fitmath,trymax
17.4    17.4    0.0             kmin,kmax,kstep (per angstrom)
9       78      3.0             dthetamin,dthetamax,dthetastep (degree)
111.0   231.0   3.0             dphimin,dphimax,dphistep (degree)
30.0    0.0     1               ltheta, lphi, beampol (degree)
0.0     0.0     1.5             mtheta, mphi, acceptang (degree)
9       25      4.086           radius,depth,lattice(angs)
11      0.0     10.5    107.87  valence,bandgap(eV),density(g/cm3),mweight
107.87  0.0     0.0     0.0     effective weight for kind 1-4 (amu)
0       0.0     0.0             ATA, ATAWeight1, ATAWeight2, t=(1-ATAWeight)*t1+ATAWeight*t2)
0.0     0.0     0.0   0.0       magnetization amplitude for kind 1-4
0.1     504.0   300.0   0.005   vinner(eV),tdebye,tsample(K),pathcut
0.0     0.0     0.0             fit try for vinner, tdebye and lattice

DADOS PROCESSADOS E ADICIONADOS A 'output_header.txt'.
EXECUTING RANDMSCD PROGRAM...
hwloc/linux: Ignoring PCI device with non-16bit domain.
Pass --enable-32bits-pci-domain to configure to support such devices
(warning: it would break the library ABI, don't enable unless really needed).
-----------------------------------------------------------------
Calculation of photoelectron diffraction and dichroism
MSCD Parallel  Version 1.37 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------


_____________________________________
Job   1 of   1

       2      10       1       1   linitial lnum msorder raorder
     244       9       2      10   natoms emiters katoms nlayer
     223       0       0     720   scanmode nfit nfollow npoint


This job allocated   23.7 megabytes memory in    2 processors


Single scattering calculation (msorder=1 raorder=1)

    0.00% of try   1, job   1 of   1 completed.

number           kout          theta            phi      intensity
     1          16.66          18.00         111.00      0.0176287
    0.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     2          16.66          18.00         114.00      0.0176970
    0.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     3          16.66          18.00         117.00      0.0181928
    0.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     4          16.66          18.00         120.00      0.0188931
    0.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     5          16.66          18.00         123.00      0.0183805
    0.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     6          16.66          18.00         126.00      0.0178658
    0.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     7          16.66          18.00         129.00      0.0179009
    0.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     8          16.66          18.00         132.00      0.0185834
    1.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
     9          16.66          18.00         135.00      0.0188371
    1.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    10          16.66          18.00         138.00      0.0184955
    1.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    11          16.66          18.00         141.00      0.0175523
    1.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    12          16.66          18.00         144.00      0.0155527
    1.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    13          16.66          18.00         147.00      0.0125263
    1.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    14          16.66          18.00         150.00      0.0100943
    1.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    15          16.66          18.00         153.00      0.0087778
    2.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    16          16.66          18.00         156.00      0.0093384
    2.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    17          16.66          18.00         159.00      0.0102487
    2.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    18          16.66          18.00         162.00      0.0102301
    2.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    19          16.66          18.00         165.00      0.0092652
    2.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    20          16.66          18.00         168.00      0.0084785
    2.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    21          16.66          18.00         171.00      0.0084865
    2.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    22          16.66          18.00         174.00      0.0088308
    3.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    23          16.66          18.00         177.00      0.0093473
    3.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    24          16.66          18.00         180.00      0.0096504
    3.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    25          16.66          18.00         183.00      0.0093503
    3.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    26          16.66          18.00         186.00      0.0088325
    3.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    27          16.66          18.00         189.00      0.0084840
    3.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    28          16.66          18.00         192.00      0.0084705
    3.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    29          16.66          18.00         195.00      0.0092533
    4.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    30          16.66          18.00         198.00      0.0102189
    4.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    31          16.66          18.00         201.00      0.0102427
    4.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    32          16.66          18.00         204.00      0.0093314
    4.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    33          16.66          18.00         207.00      0.0087689
    4.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    34          16.66          18.00         210.00      0.0100830
    4.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    35          16.66          18.00         213.00      0.0125138
    4.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    36          16.66          18.00         216.00      0.0155459
    5.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    37          16.66          18.00         219.00      0.0175479
    5.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    38          16.66          18.00         222.00      0.0184908
    5.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    39          16.66          18.00         225.00      0.0188382
    5.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    40          16.66          18.00         228.00      0.0185848
    5.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    41          16.66          21.00         111.00      0.0142700
    5.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    42          16.66          21.00         114.00      0.0131301
    5.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    43          16.66          21.00         117.00      0.0123540
    5.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    44          16.66          21.00         120.00      0.0122459
    6.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    45          16.66          21.00         123.00      0.0122848
    6.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    46          16.66          21.00         126.00      0.0129915
    6.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    47          16.66          21.00         129.00      0.0143916
    6.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    48          16.66          21.00         132.00      0.0163305
    6.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    49          16.66          21.00         135.00      0.0185077
    6.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    50          16.66          21.00         138.00      0.0192564
    6.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    51          16.66          21.00         141.00      0.0177622
    7.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    52          16.66          21.00         144.00      0.0152404
    7.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    53          16.66          21.00         147.00      0.0127853
    7.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    54          16.66          21.00         150.00      0.0106782
    7.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    55          16.66          21.00         153.00      0.0091372
    7.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    56          16.66          21.00         156.00      0.0091555
    7.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    57          16.66          21.00         159.00      0.0104828
    7.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    58          16.66          21.00         162.00      0.0109028
    8.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    59          16.66          21.00         165.00      0.0095583
    8.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    60          16.66          21.00         168.00      0.0083063
    8.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    61          16.66          21.00         171.00      0.0079628
    8.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    62          16.66          21.00         174.00      0.0081674
    8.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    63          16.66          21.00         177.00      0.0087393
    8.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    64          16.66          21.00         180.00      0.0092386
    8.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    65          16.66          21.00         183.00      0.0087393
    9.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    66          16.66          21.00         186.00      0.0081650
    9.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    67          16.66          21.00         189.00      0.0079618
    9.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    68          16.66          21.00         192.00      0.0083091
    9.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    69          16.66          21.00         195.00      0.0095590
    9.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    70          16.66          21.00         198.00      0.0109000
    9.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    71          16.66          21.00         201.00      0.0104793
    9.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    72          16.66          21.00         204.00      0.0091460
   10.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    73          16.66          21.00         207.00      0.0091288
   10.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    74          16.66          21.00         210.00      0.0106729
   10.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    75          16.66          21.00         213.00      0.0127816
   10.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    76          16.66          21.00         216.00      0.0152369
   10.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    77          16.66          21.00         219.00      0.0177553
   10.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    78          16.66          21.00         222.00      0.0192492
   10.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    79          16.66          21.00         225.00      0.0185070
   10.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    80          16.66          21.00         228.00      0.0163308
   11.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    81          16.66          24.00         111.00      0.0104438
   11.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    82          16.66          24.00         114.00      0.0103475
   11.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    83          16.66          24.00         117.00      0.0103865
   11.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    84          16.66          24.00         120.00      0.0103139
   11.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    85          16.66          24.00         123.00      0.0103847
   11.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    86          16.66          24.00         126.00      0.0102769
   11.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    87          16.66          24.00         129.00      0.0103356
   12.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    88          16.66          24.00         132.00      0.0109174
   12.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    89          16.66          24.00         135.00      0.0120965
   12.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    90          16.66          24.00         138.00      0.0124174
   12.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    91          16.66          24.00         141.00      0.0117729
   12.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    92          16.66          24.00         144.00      0.0113372
   12.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    93          16.66          24.00         147.00      0.0119035
   12.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    94          16.66          24.00         150.00      0.0118189
   13.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    95          16.66          24.00         153.00      0.0107441
   13.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    96          16.66          24.00         156.00      0.0099052
   13.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    97          16.66          24.00         159.00      0.0100986
   13.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    98          16.66          24.00         162.00      0.0108127
   13.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
    99          16.66          24.00         165.00      0.0110738
   13.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   100          16.66          24.00         168.00      0.0103116
   13.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   101          16.66          24.00         171.00      0.0101069
   14.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   102          16.66          24.00         174.00      0.0111287
   14.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   103          16.66          24.00         177.00      0.0134547
   14.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   104          16.66          24.00         180.00      0.0147093
   14.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   105          16.66          24.00         183.00      0.0134567
   14.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   106          16.66          24.00         186.00      0.0111239
   14.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   107          16.66          24.00         189.00      0.0101006
   14.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   108          16.66          24.00         192.00      0.0103055
   15.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   109          16.66          24.00         195.00      0.0110639
   15.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   110          16.66          24.00         198.00      0.0107996
   15.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   111          16.66          24.00         201.00      0.0100922
   15.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   112          16.66          24.00         204.00      0.0098965
   15.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   113          16.66          24.00         207.00      0.0107268
   15.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   114          16.66          24.00         210.00      0.0118031
   15.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   115          16.66          24.00         213.00      0.0118986
   15.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   116          16.66          24.00         216.00      0.0113372
   16.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   117          16.66          24.00         219.00      0.0117667
   16.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   118          16.66          24.00         222.00      0.0124068
   16.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   119          16.66          24.00         225.00      0.0120904
   16.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   120          16.66          24.00         228.00      0.0109157
   16.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   121          16.66          27.00         111.00      0.0102379
   16.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   122          16.66          27.00         114.00      0.0112892
   16.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   123          16.66          27.00         117.00      0.0114090
   17.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   124          16.66          27.00         120.00      0.0113827
   17.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   125          16.66          27.00         123.00      0.0112843
   17.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   126          16.66          27.00         126.00      0.0110318
   17.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   127          16.66          27.00         129.00      0.0099734
   17.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   128          16.66          27.00         132.00      0.0091997
   17.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   129          16.66          27.00         135.00      0.0084218
   17.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   130          16.66          27.00         138.00      0.0076856
   18.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   131          16.66          27.00         141.00      0.0077967
   18.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   132          16.66          27.00         144.00      0.0080043
   18.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   133          16.66          27.00         147.00      0.0079046
   18.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   134          16.66          27.00         150.00      0.0075986
   18.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   135          16.66          27.00         153.00      0.0072044
   18.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   136          16.66          27.00         156.00      0.0077737
   18.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   137          16.66          27.00         159.00      0.0085211
   19.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   138          16.66          27.00         162.00      0.0104448
   19.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   139          16.66          27.00         165.00      0.0130805
   19.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   140          16.66          27.00         168.00      0.0143926
   19.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   141          16.66          27.00         171.00      0.0147252
   19.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   142          16.66          27.00         174.00      0.0161254
   19.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   143          16.66          27.00         177.00      0.0187770
   19.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   144          16.66          27.00         180.00      0.0201164
   20.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   145          16.66          27.00         183.00      0.0187833
   20.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   146          16.66          27.00         186.00      0.0161303
   20.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   147          16.66          27.00         189.00      0.0147353
   20.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   148          16.66          27.00         192.00      0.0143979
   20.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   149          16.66          27.00         195.00      0.0130819
   20.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   150          16.66          27.00         198.00      0.0104407
   20.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   151          16.66          27.00         201.00      0.0085200
   20.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   152          16.66          27.00         204.00      0.0077784
   21.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   153          16.66          27.00         207.00      0.0072085
   21.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   154          16.66          27.00         210.00      0.0075980
   21.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   155          16.66          27.00         213.00      0.0078990
   21.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   156          16.66          27.00         216.00      0.0079970
   21.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   157          16.66          27.00         219.00      0.0077941
   21.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   158          16.66          27.00         222.00      0.0076869
   21.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   159          16.66          27.00         225.00      0.0084290
   22.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   160          16.66          27.00         228.00      0.0092056
   22.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   161          16.66          30.00         111.00      0.0106142
   22.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   162          16.66          30.00         114.00      0.0121030
   22.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   163          16.66          30.00         117.00      0.0131442
   22.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   164          16.66          30.00         120.00      0.0139363
   22.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   165          16.66          30.00         123.00      0.0130147
   22.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   166          16.66          30.00         126.00      0.0119387
   23.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   167          16.66          30.00         129.00      0.0105347
   23.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   168          16.66          30.00         132.00      0.0094736
   23.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   169          16.66          30.00         135.00      0.0087353
   23.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   170          16.66          30.00         138.00      0.0077920
   23.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   171          16.66          30.00         141.00      0.0077792
   23.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   172          16.66          30.00         144.00      0.0071966
   23.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   173          16.66          30.00         147.00      0.0063211
   24.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   174          16.66          30.00         150.00      0.0060116
   24.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   175          16.66          30.00         153.00      0.0054675
   24.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   176          16.66          30.00         156.00      0.0058909
   24.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   177          16.66          30.00         159.00      0.0069280
   24.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   178          16.66          30.00         162.00      0.0099471
   24.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   179          16.66          30.00         165.00      0.0153229
   24.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   180          16.66          30.00         168.00      0.0183142
   25.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   181          16.66          30.00         171.00      0.0197619
   25.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   182          16.66          30.00         174.00      0.0235992
   25.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   183          16.66          30.00         177.00      0.0286328
   25.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   184          16.66          30.00         180.00      0.0309683
   25.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   185          16.66          30.00         183.00      0.0286291
   25.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   186          16.66          30.00         186.00      0.0235908
   25.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   187          16.66          30.00         189.00      0.0197573
   25.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   188          16.66          30.00         192.00      0.0183055
   26.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   189          16.66          30.00         195.00      0.0153236
   26.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   190          16.66          30.00         198.00      0.0099489
   26.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   191          16.66          30.00         201.00      0.0069245
   26.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   192          16.66          30.00         204.00      0.0058880
   26.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   193          16.66          30.00         207.00      0.0054638
   26.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   194          16.66          30.00         210.00      0.0060101
   26.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   195          16.66          30.00         213.00      0.0063233
   27.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   196          16.66          30.00         216.00      0.0072068
   27.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   197          16.66          30.00         219.00      0.0077826
   27.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   198          16.66          30.00         222.00      0.0077903
   27.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   199          16.66          30.00         225.00      0.0087385
   27.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   200          16.66          30.00         228.00      0.0094769
   27.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   201          16.66          33.00         111.00      0.0099035
   27.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   202          16.66          33.00         114.00      0.0105225
   28.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   203          16.66          33.00         117.00      0.0098865
   28.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   204          16.66          33.00         120.00      0.0093376
   28.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   205          16.66          33.00         123.00      0.0098484
   28.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   206          16.66          33.00         126.00      0.0103639
   28.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   207          16.66          33.00         129.00      0.0096844
   28.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   208          16.66          33.00         132.00      0.0085691
   28.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   209          16.66          33.00         135.00      0.0080742
   29.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   210          16.66          33.00         138.00      0.0090582
   29.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   211          16.66          33.00         141.00      0.0109338
   29.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   212          16.66          33.00         144.00      0.0110262
   29.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   213          16.66          33.00         147.00      0.0094875
   29.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   214          16.66          33.00         150.00      0.0085691
   29.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   215          16.66          33.00         153.00      0.0080305
   29.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   216          16.66          33.00         156.00      0.0082263
   30.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   217          16.66          33.00         159.00      0.0080313
   30.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   218          16.66          33.00         162.00      0.0077672
   30.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   219          16.66          33.00         165.00      0.0107718
   30.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   220          16.66          33.00         168.00      0.0158934
   30.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   221          16.66          33.00         171.00      0.0209785
   30.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   222          16.66          33.00         174.00      0.0255731
   30.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   223          16.66          33.00         177.00      0.0316148
   30.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   224          16.66          33.00         180.00      0.0347427
   31.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   225          16.66          33.00         183.00      0.0316099
   31.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   226          16.66          33.00         186.00      0.0255594
   31.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   227          16.66          33.00         189.00      0.0209680
   31.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   228          16.66          33.00         192.00      0.0158841
   31.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   229          16.66          33.00         195.00      0.0107747
   31.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   230          16.66          33.00         198.00      0.0077725
   31.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   231          16.66          33.00         201.00      0.0080356
   32.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   232          16.66          33.00         204.00      0.0082291
   32.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   233          16.66          33.00         207.00      0.0080390
   32.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   234          16.66          33.00         210.00      0.0085774
   32.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   235          16.66          33.00         213.00      0.0094844
   32.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   236          16.66          33.00         216.00      0.0110328
   32.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   237          16.66          33.00         219.00      0.0109374
   32.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   238          16.66          33.00         222.00      0.0090564
   33.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   239          16.66          33.00         225.00      0.0080719
   33.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   240          16.66          33.00         228.00      0.0085684
   33.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   241          16.66          36.00         111.00      0.0114314
   33.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   242          16.66          36.00         114.00      0.0123973
   33.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   243          16.66          36.00         117.00      0.0094788
   33.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   244          16.66          36.00         120.00      0.0080642
   33.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   245          16.66          36.00         123.00      0.0099116
   34.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   246          16.66          36.00         126.00      0.0129515
   34.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   247          16.66          36.00         129.00      0.0117575
   34.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   248          16.66          36.00         132.00      0.0093441
   34.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   249          16.66          36.00         135.00      0.0090159
   34.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   250          16.66          36.00         138.00      0.0101280
   34.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   251          16.66          36.00         141.00      0.0117099
   34.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   252          16.66          36.00         144.00      0.0122203
   35.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   253          16.66          36.00         147.00      0.0126548
   35.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   254          16.66          36.00         150.00      0.0120370
   35.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   255          16.66          36.00         153.00      0.0100071
   35.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   256          16.66          36.00         156.00      0.0096913
   35.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   257          16.66          36.00         159.00      0.0081939
   35.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   258          16.66          36.00         162.00      0.0069730
   35.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   259          16.66          36.00         165.00      0.0086925
   35.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   260          16.66          36.00         168.00      0.0132572
   36.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   261          16.66          36.00         171.00      0.0182151
   36.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   262          16.66          36.00         174.00      0.0229940
   36.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   263          16.66          36.00         177.00      0.0288258
   36.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   264          16.66          36.00         180.00      0.0322080
   36.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   265          16.66          36.00         183.00      0.0288382
   36.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   266          16.66          36.00         186.00      0.0230030
   36.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   267          16.66          36.00         189.00      0.0182288
   37.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   268          16.66          36.00         192.00      0.0132610
   37.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   269          16.66          36.00         195.00      0.0086904
   37.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   270          16.66          36.00         198.00      0.0069721
   37.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   271          16.66          36.00         201.00      0.0082005
   37.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   272          16.66          36.00         204.00      0.0096913
   37.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   273          16.66          36.00         207.00      0.0100067
   37.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   274          16.66          36.00         210.00      0.0120465
   38.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   275          16.66          36.00         213.00      0.0126529
   38.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   276          16.66          36.00         216.00      0.0122215
   38.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   277          16.66          36.00         219.00      0.0117189
   38.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   278          16.66          36.00         222.00      0.0101335
   38.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   279          16.66          36.00         225.00      0.0090177
   38.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   280          16.66          36.00         228.00      0.0093424
   38.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   281          16.66          39.00         111.00      0.0102456
   39.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   282          16.66          39.00         114.00      0.0103353
   39.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   283          16.66          39.00         117.00      0.0087311
   39.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   284          16.66          39.00         120.00      0.0088027
   39.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   285          16.66          39.00         123.00      0.0091670
   39.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   286          16.66          39.00         126.00      0.0107818
   39.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   287          16.66          39.00         129.00      0.0104627
   39.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   288          16.66          39.00         132.00      0.0095053
   40.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   289          16.66          39.00         135.00      0.0100624
   40.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   290          16.66          39.00         138.00      0.0110037
   40.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   291          16.66          39.00         141.00      0.0111737
   40.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   292          16.66          39.00         144.00      0.0125003
   40.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   293          16.66          39.00         147.00      0.0142871
   40.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   294          16.66          39.00         150.00      0.0124796
   40.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   295          16.66          39.00         153.00      0.0085356
   40.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   296          16.66          39.00         156.00      0.0064311
   41.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   297          16.66          39.00         159.00      0.0055586
   41.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   298          16.66          39.00         162.00      0.0059674
   41.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   299          16.66          39.00         165.00      0.0077677
   41.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   300          16.66          39.00         168.00      0.0116500
   41.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   301          16.66          39.00         171.00      0.0141874
   41.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   302          16.66          39.00         174.00      0.0162342
   41.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   303          16.66          39.00         177.00      0.0176546
   42.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   304          16.66          39.00         180.00      0.0175703
   42.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   305          16.66          39.00         183.00      0.0176548
   42.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   306          16.66          39.00         186.00      0.0162353
   42.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   307          16.66          39.00         189.00      0.0141948
   42.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   308          16.66          39.00         192.00      0.0116506
   42.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   309          16.66          39.00         195.00      0.0077680
   42.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   310          16.66          39.00         198.00      0.0059690
   43.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   311          16.66          39.00         201.00      0.0055592
   43.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   312          16.66          39.00         204.00      0.0064276
   43.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   313          16.66          39.00         207.00      0.0085394
   43.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   314          16.66          39.00         210.00      0.0124887
   43.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   315          16.66          39.00         213.00      0.0142899
   43.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   316          16.66          39.00         216.00      0.0125048
   43.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   317          16.66          39.00         219.00      0.0111755
   44.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   318          16.66          39.00         222.00      0.0110016
   44.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   319          16.66          39.00         225.00      0.0100570
   44.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   320          16.66          39.00         228.00      0.0094951
   44.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   321          16.66          42.00         111.00      0.0095521
   44.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   322          16.66          42.00         114.00      0.0073827
   44.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   323          16.66          42.00         117.00      0.0065249
   44.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   324          16.66          42.00         120.00      0.0074636
   45.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   325          16.66          42.00         123.00      0.0066048
   45.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   326          16.66          42.00         126.00      0.0073206
   45.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   327          16.66          42.00         129.00      0.0094709
   45.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   328          16.66          42.00         132.00      0.0097481
   45.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   329          16.66          42.00         135.00      0.0120369
   45.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   330          16.66          42.00         138.00      0.0145641
   45.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   331          16.66          42.00         141.00      0.0120964
   45.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   332          16.66          42.00         144.00      0.0105856
   46.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   333          16.66          42.00         147.00      0.0114939
   46.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   334          16.66          42.00         150.00      0.0103651
   46.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   335          16.66          42.00         153.00      0.0070106
   46.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   336          16.66          42.00         156.00      0.0059166
   46.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   337          16.66          42.00         159.00      0.0062658
   46.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   338          16.66          42.00         162.00      0.0070033
   46.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   339          16.66          42.00         165.00      0.0072249
   47.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   340          16.66          42.00         168.00      0.0095630
   47.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   341          16.66          42.00         171.00      0.0113863
   47.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   342          16.66          42.00         174.00      0.0117175
   47.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   343          16.66          42.00         177.00      0.0112541
   47.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   344          16.66          42.00         180.00      0.0112059
   47.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   345          16.66          42.00         183.00      0.0112494
   47.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   346          16.66          42.00         186.00      0.0117227
   48.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   347          16.66          42.00         189.00      0.0113966
   48.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   348          16.66          42.00         192.00      0.0095664
   48.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   349          16.66          42.00         195.00      0.0072259
   48.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   350          16.66          42.00         198.00      0.0070029
   48.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   351          16.66          42.00         201.00      0.0062706
   48.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   352          16.66          42.00         204.00      0.0059181
   48.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   353          16.66          42.00         207.00      0.0070102
   49.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   354          16.66          42.00         210.00      0.0103637
   49.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   355          16.66          42.00         213.00      0.0114894
   49.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   356          16.66          42.00         216.00      0.0105892
   49.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   357          16.66          42.00         219.00      0.0120914
   49.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   358          16.66          42.00         222.00      0.0145538
   49.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   359          16.66          42.00         225.00      0.0120257
   49.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   360          16.66          42.00         228.00      0.0097478
   50.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   361          16.66          45.00         111.00      0.0096457
   50.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   362          16.66          45.00         114.00      0.0093003
   50.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   363          16.66          45.00         117.00      0.0078132
   50.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   364          16.66          45.00         120.00      0.0068459
   50.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   365          16.66          45.00         123.00      0.0078035
   50.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   366          16.66          45.00         126.00      0.0089330
   50.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   367          16.66          45.00         129.00      0.0093542
   50.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   368          16.66          45.00         132.00      0.0086751
   51.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   369          16.66          45.00         135.00      0.0099212
   51.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   370          16.66          45.00         138.00      0.0101455
   51.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   371          16.66          45.00         141.00      0.0089112
   51.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   372          16.66          45.00         144.00      0.0079796
   51.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   373          16.66          45.00         147.00      0.0078300
   51.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   374          16.66          45.00         150.00      0.0074675
   51.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   375          16.66          45.00         153.00      0.0059649
   52.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   376          16.66          45.00         156.00      0.0063918
   52.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   377          16.66          45.00         159.00      0.0077824
   52.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   378          16.66          45.00         162.00      0.0091380
   52.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   379          16.66          45.00         165.00      0.0098251
   52.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   380          16.66          45.00         168.00      0.0114682
   52.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   381          16.66          45.00         171.00      0.0127588
   52.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   382          16.66          45.00         174.00      0.0100663
   53.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   383          16.66          45.00         177.00      0.0082254
   53.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   384          16.66          45.00         180.00      0.0074042
   53.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   385          16.66          45.00         183.00      0.0082348
   53.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   386          16.66          45.00         186.00      0.0100683
   53.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   387          16.66          45.00         189.00      0.0127655
   53.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   388          16.66          45.00         192.00      0.0114868
   53.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   389          16.66          45.00         195.00      0.0098340
   54.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   390          16.66          45.00         198.00      0.0091485
   54.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   391          16.66          45.00         201.00      0.0077885
   54.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   392          16.66          45.00         204.00      0.0063864
   54.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   393          16.66          45.00         207.00      0.0059661
   54.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   394          16.66          45.00         210.00      0.0074665
   54.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   395          16.66          45.00         213.00      0.0078288
   54.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   396          16.66          45.00         216.00      0.0079790
   55.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   397          16.66          45.00         219.00      0.0089049
   55.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   398          16.66          45.00         222.00      0.0101466
   55.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   399          16.66          45.00         225.00      0.0099282
   55.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   400          16.66          45.00         228.00      0.0086698
   55.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   401          16.66          48.00         111.00      0.0077374
   55.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   402          16.66          48.00         114.00      0.0111047
   55.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   403          16.66          48.00         117.00      0.0133020
   55.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   404          16.66          48.00         120.00      0.0133851
   56.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   405          16.66          48.00         123.00      0.0135706
   56.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   406          16.66          48.00         126.00      0.0113953
   56.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   407          16.66          48.00         129.00      0.0078970
   56.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   408          16.66          48.00         132.00      0.0062307
   56.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   409          16.66          48.00         135.00      0.0063863
   56.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   410          16.66          48.00         138.00      0.0067097
   56.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   411          16.66          48.00         141.00      0.0080406
   57.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   412          16.66          48.00         144.00      0.0084809
   57.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   413          16.66          48.00         147.00      0.0090743
   57.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   414          16.66          48.00         150.00      0.0080168
   57.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   415          16.66          48.00         153.00      0.0062213
   57.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   416          16.66          48.00         156.00      0.0072606
   57.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   417          16.66          48.00         159.00      0.0089428
   57.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   418          16.66          48.00         162.00      0.0100071
   58.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   419          16.66          48.00         165.00      0.0090661
   58.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   420          16.66          48.00         168.00      0.0091008
   58.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   421          16.66          48.00         171.00      0.0104361
   58.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   422          16.66          48.00         174.00      0.0092591
   58.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   423          16.66          48.00         177.00      0.0083706
   58.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   424          16.66          48.00         180.00      0.0080543
   58.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   425          16.66          48.00         183.00      0.0083772
   59.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   426          16.66          48.00         186.00      0.0092657
   59.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   427          16.66          48.00         189.00      0.0104423
   59.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   428          16.66          48.00         192.00      0.0091052
   59.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   429          16.66          48.00         195.00      0.0090680
   59.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   430          16.66          48.00         198.00      0.0100116
   59.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   431          16.66          48.00         201.00      0.0089430
   59.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   432          16.66          48.00         204.00      0.0072555
   60.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   433          16.66          48.00         207.00      0.0062259
   60.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   434          16.66          48.00         210.00      0.0080109
   60.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   435          16.66          48.00         213.00      0.0090628
   60.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   436          16.66          48.00         216.00      0.0084831
   60.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   437          16.66          48.00         219.00      0.0080373
   60.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   438          16.66          48.00         222.00      0.0067047
   60.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   439          16.66          48.00         225.00      0.0063883
   60.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   440          16.66          48.00         228.00      0.0062297
   61.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   441          16.66          51.00         111.00      0.0058188
   61.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   442          16.66          51.00         114.00      0.0109707
   61.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   443          16.66          51.00         117.00      0.0155759
   61.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   444          16.66          51.00         120.00      0.0149976
   61.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   445          16.66          51.00         123.00      0.0150261
   61.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   446          16.66          51.00         126.00      0.0107477
   61.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   447          16.66          51.00         129.00      0.0059013
   62.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   448          16.66          51.00         132.00      0.0049839
   62.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   449          16.66          51.00         135.00      0.0054098
   62.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   450          16.66          51.00         138.00      0.0073574
   62.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   451          16.66          51.00         141.00      0.0089456
   62.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   452          16.66          51.00         144.00      0.0113547
   62.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   453          16.66          51.00         147.00      0.0129257
   62.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   454          16.66          51.00         150.00      0.0100775
   63.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   455          16.66          51.00         153.00      0.0071759
   63.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   456          16.66          51.00         156.00      0.0078292
   63.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   457          16.66          51.00         159.00      0.0084912
   63.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   458          16.66          51.00         162.00      0.0101978
   63.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   459          16.66          51.00         165.00      0.0091976
   63.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   460          16.66          51.00         168.00      0.0075140
   63.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   461          16.66          51.00         171.00      0.0070525
   64.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   462          16.66          51.00         174.00      0.0074086
   64.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   463          16.66          51.00         177.00      0.0081628
   64.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   464          16.66          51.00         180.00      0.0087199
   64.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   465          16.66          51.00         183.00      0.0081596
   64.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   466          16.66          51.00         186.00      0.0074094
   64.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   467          16.66          51.00         189.00      0.0070577
   64.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   468          16.66          51.00         192.00      0.0075174
   65.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   469          16.66          51.00         195.00      0.0091978
   65.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   470          16.66          51.00         198.00      0.0101984
   65.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   471          16.66          51.00         201.00      0.0084975
   65.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   472          16.66          51.00         204.00      0.0078325
   65.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   473          16.66          51.00         207.00      0.0071780
   65.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   474          16.66          51.00         210.00      0.0100749
   65.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   475          16.66          51.00         213.00      0.0129251
   65.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   476          16.66          51.00         216.00      0.0113540
   66.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   477          16.66          51.00         219.00      0.0089405
   66.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   478          16.66          51.00         222.00      0.0073611
   66.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   479          16.66          51.00         225.00      0.0054127
   66.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   480          16.66          51.00         228.00      0.0049838
   66.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   481          16.66          54.00         111.00      0.0064502
   66.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   482          16.66          54.00         114.00      0.0110117
   66.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   483          16.66          54.00         117.00      0.0143626
   67.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   484          16.66          54.00         120.00      0.0134458
   67.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   485          16.66          54.00         123.00      0.0142428
   67.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   486          16.66          54.00         126.00      0.0109838
   67.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   487          16.66          54.00         129.00      0.0066483
   67.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   488          16.66          54.00         132.00      0.0047819
   67.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   489          16.66          54.00         135.00      0.0065710
   67.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   490          16.66          54.00         138.00      0.0097930
   68.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   491          16.66          54.00         141.00      0.0099408
   68.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   492          16.66          54.00         144.00      0.0107126
   68.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   493          16.66          54.00         147.00      0.0108773
   68.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   494          16.66          54.00         150.00      0.0080751
   68.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   495          16.66          54.00         153.00      0.0067744
   68.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   496          16.66          54.00         156.00      0.0068618
   68.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   497          16.66          54.00         159.00      0.0076675
   69.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   498          16.66          54.00         162.00      0.0103924
   69.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   499          16.66          54.00         165.00      0.0100482
   69.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   500          16.66          54.00         168.00      0.0070678
   69.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   501          16.66          54.00         171.00      0.0060972
   69.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   502          16.66          54.00         174.00      0.0062984
   69.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   503          16.66          54.00         177.00      0.0086153
   69.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   504          16.66          54.00         180.00      0.0099374
   70.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   505          16.66          54.00         183.00      0.0086128
   70.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   506          16.66          54.00         186.00      0.0062996
   70.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   507          16.66          54.00         189.00      0.0060976
   70.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   508          16.66          54.00         192.00      0.0070690
   70.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   509          16.66          54.00         195.00      0.0100516
   70.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   510          16.66          54.00         198.00      0.0103943
   70.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   511          16.66          54.00         201.00      0.0076697
   70.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   512          16.66          54.00         204.00      0.0068587
   71.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   513          16.66          54.00         207.00      0.0067685
   71.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   514          16.66          54.00         210.00      0.0080760
   71.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   515          16.66          54.00         213.00      0.0108804
   71.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   516          16.66          54.00         216.00      0.0107082
   71.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   517          16.66          54.00         219.00      0.0099417
   71.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   518          16.66          54.00         222.00      0.0097892
   71.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   519          16.66          54.00         225.00      0.0065666
   72.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   520          16.66          54.00         228.00      0.0047844
   72.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   521          16.66          57.00         111.00      0.0071427
   72.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   522          16.66          57.00         114.00      0.0092964
   72.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   523          16.66          57.00         117.00      0.0106698
   72.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   524          16.66          57.00         120.00      0.0101173
   72.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   525          16.66          57.00         123.00      0.0107215
   72.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   526          16.66          57.00         126.00      0.0091598
   73.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   527          16.66          57.00         129.00      0.0073105
   73.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   528          16.66          57.00         132.00      0.0053937
   73.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   529          16.66          57.00         135.00      0.0064640
   73.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   530          16.66          57.00         138.00      0.0097973
   73.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   531          16.66          57.00         141.00      0.0105468
   73.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   532          16.66          57.00         144.00      0.0094571
   73.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   533          16.66          57.00         147.00      0.0088574
   74.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   534          16.66          57.00         150.00      0.0074503
   74.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   535          16.66          57.00         153.00      0.0064190
   74.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   536          16.66          57.00         156.00      0.0066227
   74.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   537          16.66          57.00         159.00      0.0090802
   74.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   538          16.66          57.00         162.00      0.0109724
   74.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   539          16.66          57.00         165.00      0.0093969
   74.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   540          16.66          57.00         168.00      0.0072988
   75.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   541          16.66          57.00         171.00      0.0062610
   75.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   542          16.66          57.00         174.00      0.0063268
   75.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   543          16.66          57.00         177.00      0.0090662
   75.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   544          16.66          57.00         180.00      0.0096599
   75.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   545          16.66          57.00         183.00      0.0090662
   75.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   546          16.66          57.00         186.00      0.0063302
   75.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   547          16.66          57.00         189.00      0.0062624
   75.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   548          16.66          57.00         192.00      0.0073000
   76.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   549          16.66          57.00         195.00      0.0093968
   76.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   550          16.66          57.00         198.00      0.0109752
   76.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   551          16.66          57.00         201.00      0.0090769
   76.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   552          16.66          57.00         204.00      0.0066242
   76.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   553          16.66          57.00         207.00      0.0064188
   76.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   554          16.66          57.00         210.00      0.0074525
   76.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   555          16.66          57.00         213.00      0.0088504
   77.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   556          16.66          57.00         216.00      0.0094496
   77.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   557          16.66          57.00         219.00      0.0105449
   77.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   558          16.66          57.00         222.00      0.0097868
   77.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   559          16.66          57.00         225.00      0.0064598
   77.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   560          16.66          57.00         228.00      0.0053915
   77.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   561          16.66          60.00         111.00      0.0066287
   77.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   562          16.66          60.00         114.00      0.0067970
   78.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   563          16.66          60.00         117.00      0.0068776
   78.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   564          16.66          60.00         120.00      0.0073606
   78.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   565          16.66          60.00         123.00      0.0069056
   78.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   566          16.66          60.00         126.00      0.0068441
   78.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   567          16.66          60.00         129.00      0.0068613
   78.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   568          16.66          60.00         132.00      0.0064704
   78.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   569          16.66          60.00         135.00      0.0061886
   79.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   570          16.66          60.00         138.00      0.0078740
   79.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   571          16.66          60.00         141.00      0.0084072
   79.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   572          16.66          60.00         144.00      0.0082924
   79.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   573          16.66          60.00         147.00      0.0068731
   79.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   574          16.66          60.00         150.00      0.0059074
   79.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   575          16.66          60.00         153.00      0.0073277
   79.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   576          16.66          60.00         156.00      0.0086914
   80.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   577          16.66          60.00         159.00      0.0101281
   80.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   578          16.66          60.00         162.00      0.0101723
   80.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   579          16.66          60.00         165.00      0.0081484
   80.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   580          16.66          60.00         168.00      0.0068983
   80.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   581          16.66          60.00         171.00      0.0056006
   80.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   582          16.66          60.00         174.00      0.0062560
   80.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   583          16.66          60.00         177.00      0.0085033
   80.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   584          16.66          60.00         180.00      0.0100553
   81.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   585          16.66          60.00         183.00      0.0085032
   81.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   586          16.66          60.00         186.00      0.0062558
   81.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   587          16.66          60.00         189.00      0.0055994
   81.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   588          16.66          60.00         192.00      0.0068911
   81.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   589          16.66          60.00         195.00      0.0081534
   81.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   590          16.66          60.00         198.00      0.0101690
   81.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   591          16.66          60.00         201.00      0.0101248
   82.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   592          16.66          60.00         204.00      0.0086950
   82.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   593          16.66          60.00         207.00      0.0073303
   82.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   594          16.66          60.00         210.00      0.0056618
   82.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   595          16.66          60.00         213.00      0.0068690
   82.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   596          16.66          60.00         216.00      0.0082853
   82.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   597          16.66          60.00         219.00      0.0084044
   82.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   598          16.66          60.00         222.00      0.0078767
   83.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   599          16.66          60.00         225.00      0.0061894
   83.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   600          16.66          60.00         228.00      0.0064666
   83.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   601          16.66          63.00         111.00      0.0072021
   83.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   602          16.66          63.00         114.00      0.0060388
   83.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   603          16.66          63.00         117.00      0.0061076
   83.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   604          16.66          63.00         120.00      0.0067582
   83.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   605          16.66          63.00         123.00      0.0060545
   84.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   606          16.66          63.00         126.00      0.0060950
   84.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   607          16.66          63.00         129.00      0.0073189
   84.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   608          16.66          63.00         132.00      0.0083819
   84.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   609          16.66          63.00         135.00      0.0071366
   84.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   610          16.66          63.00         138.00      0.0071349
   84.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   611          16.66          63.00         141.00      0.0074730
   84.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   612          16.66          63.00         144.00      0.0064044
   85.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   613          16.66          63.00         147.00      0.0051952
   85.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   614          16.66          63.00         150.00      0.0060589
   85.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   615          16.66          63.00         153.00      0.0074564
   85.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   616          16.66          63.00         156.00      0.0091448
   85.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   617          16.66          63.00         159.00      0.0092555
   85.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   618          16.66          63.00         162.00      0.0089019
   85.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   619          16.66          63.00         165.00      0.0080665
   85.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   620          16.66          63.00         168.00      0.0068465
   86.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   621          16.66          63.00         171.00      0.0054394
   86.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   622          16.66          63.00         174.00      0.0056668
   86.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   623          16.66          63.00         177.00      0.0079062
   86.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   624          16.66          63.00         180.00      0.0095848
   86.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   625          16.66          63.00         183.00      0.0079135
   86.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   626          16.66          63.00         186.00      0.0056655
   86.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   627          16.66          63.00         189.00      0.0054395
   87.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   628          16.66          63.00         192.00      0.0068486
   87.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   629          16.66          63.00         195.00      0.0080685
   87.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   630          16.66          63.00         198.00      0.0089033
   87.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   631          16.66          63.00         201.00      0.0092555
   87.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   632          16.66          63.00         204.00      0.0091486
   87.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   633          16.66          63.00         207.00      0.0074565
   87.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   634          16.66          63.00         210.00      0.0060587
   88.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   635          16.66          63.00         213.00      0.0051960
   88.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   636          16.66          63.00         216.00      0.0064074
   88.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   637          16.66          63.00         219.00      0.0074678
   88.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   638          16.66          63.00         222.00      0.0071285
   88.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   639          16.66          63.00         225.00      0.0071373
   88.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   640          16.66          63.00         228.00      0.0083789
   88.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   641          16.66          66.00         111.00      0.0067552
   89.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   642          16.66          66.00         114.00      0.0061113
   89.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   643          16.66          66.00         117.00      0.0056457
   89.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   644          16.66          66.00         120.00      0.0052350
   89.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   645          16.66          66.00         123.00      0.0054285
   89.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   646          16.66          66.00         126.00      0.0060529
   89.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   647          16.66          66.00         129.00      0.0066555
   89.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   648          16.66          66.00         132.00      0.0075852
   90.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   649          16.66          66.00         135.00      0.0079181
   90.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   650          16.66          66.00         138.00      0.0081615
   90.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   651          16.66          66.00         141.00      0.0082148
   90.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   652          16.66          66.00         144.00      0.0066435
   90.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   653          16.66          66.00         147.00      0.0055830
   90.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   654          16.66          66.00         150.00      0.0062174
   90.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   655          16.66          66.00         153.00      0.0069359
   90.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   656          16.66          66.00         156.00      0.0078169
   91.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   657          16.66          66.00         159.00      0.0077221
   91.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   658          16.66          66.00         162.00      0.0078027
   91.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   659          16.66          66.00         165.00      0.0067258
   91.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   660          16.66          66.00         168.00      0.0054436
   91.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   661          16.66          66.00         171.00      0.0052228
   91.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   662          16.66          66.00         174.00      0.0058209
   91.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   663          16.66          66.00         177.00      0.0069738
   92.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   664          16.66          66.00         180.00      0.0076949
   92.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   665          16.66          66.00         183.00      0.0069672
   92.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   666          16.66          66.00         186.00      0.0058151
   92.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   667          16.66          66.00         189.00      0.0052253
   92.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   668          16.66          66.00         192.00      0.0054407
   92.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   669          16.66          66.00         195.00      0.0067226
   92.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   670          16.66          66.00         198.00      0.0078014
   93.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   671          16.66          66.00         201.00      0.0077209
   93.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   672          16.66          66.00         204.00      0.0078163
   93.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   673          16.66          66.00         207.00      0.0069370
   93.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   674          16.66          66.00         210.00      0.0062198
   93.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   675          16.66          66.00         213.00      0.0055823
   93.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   676          16.66          66.00         216.00      0.0066456
   93.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   677          16.66          66.00         219.00      0.0082133
   94.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   678          16.66          66.00         222.00      0.0081599
   94.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   679          16.66          66.00         225.00      0.0079135
   94.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   680          16.66          66.00         228.00      0.0075775
   94.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   681          16.66          69.00         111.00      0.0050543
   94.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   682          16.66          69.00         114.00      0.0060293
   94.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   683          16.66          69.00         117.00      0.0062791
   94.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   684          16.66          69.00         120.00      0.0059384
   95.00% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   685          16.66          69.00         123.00      0.0060088
   95.14% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   686          16.66          69.00         126.00      0.0059075
   95.28% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   687          16.66          69.00         129.00      0.0050610
   95.42% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   688          16.66          69.00         132.00      0.0060296
   95.56% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   689          16.66          69.00         135.00      0.0072655
   95.69% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   690          16.66          69.00         138.00      0.0071595
   95.83% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   691          16.66          69.00         141.00      0.0070685
   95.97% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   692          16.66          69.00         144.00      0.0055241
   96.11% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   693          16.66          69.00         147.00      0.0047984
   96.25% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   694          16.66          69.00         150.00      0.0057672
   96.39% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   695          16.66          69.00         153.00      0.0059277
   96.53% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   696          16.66          69.00         156.00      0.0057596
   96.67% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   697          16.66          69.00         159.00      0.0060429
   96.81% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   698          16.66          69.00         162.00      0.0060373
   96.94% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   699          16.66          69.00         165.00      0.0055254
   97.08% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   700          16.66          69.00         168.00      0.0042392
   97.22% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   701          16.66          69.00         171.00      0.0050374
   97.36% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   702          16.66          69.00         174.00      0.0068761
   97.50% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   703          16.66          69.00         177.00      0.0074703
   97.64% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   704          16.66          69.00         180.00      0.0080626
   97.78% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   705          16.66          69.00         183.00      0.0074754
   97.92% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   706          16.66          69.00         186.00      0.0068816
   98.06% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   707          16.66          69.00         189.00      0.0050369
   98.19% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   708          16.66          69.00         192.00      0.0042406
   98.33% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   709          16.66          69.00         195.00      0.0055281
   98.47% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   710          16.66          69.00         198.00      0.0060393
   98.61% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   711          16.66          69.00         201.00      0.0060465
   98.75% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   712          16.66          69.00         204.00      0.0057646
   98.89% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   713          16.66          69.00         207.00      0.0059274
   99.03% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   714          16.66          69.00         210.00      0.0057688
   99.17% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   715          16.66          69.00         213.00      0.0047980
   99.31% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   716          16.66          69.00         216.00      0.0055213
   99.44% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   717          16.66          69.00         219.00      0.0070636
   99.58% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   718          16.66          69.00         222.00      0.0071544
   99.72% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   719          16.66          69.00         225.00      0.0072603
   99.86% of job   1 of   1 completed.

number           kout          theta            phi      intensity
   720          16.66          69.00         228.00      0.0060244
  100.00% of job   1 of   1 completed.

job   1 of   1 completed, factors =    0.6751   0.8343

_____________________________________
 Job report

   1   output_header.txt
       result saved in file teory.out

_____________________________________
 Job report saved in file mscdout.txt
 Messages saved in file mscdlist.txt

Program terminated normally
-------------------------------------
🔍 PADRONIZANDO ARQUIVO DE SAÍDA (teory.out)...
   -> Output detectado: teory.out
cp: 'teory.out' and 'teory.out' are the same file
   ✅ Sucesso! 'teory.out' duplicado como 'teory.out'.
-------------------------------------
COPYING 'input_cluster.txt' FILE BACK TO THE MAIN DIRECTORY...
-------------------------------------
PROCESS COMPLETE. RETURNING TO THE MAIN DIRECTORY.

--- Simulation Complete ---