Shortlist of important Commands and Input Files


Program Input File Input File Created by
anisotropy [mcphas.j] cif2mcphas and makenn
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
bfk *.cef singleion
  *.par editor, copy from example and edit
bcfph results/op.mat singleion wit option -opmat
  phonon.int parlinsky program for phonons *.d51
  g_alpha.s adapt makegalphas.pl from examples cecu2ge2_cf_phonon_int
cpsingleion results/*.sipf.levels singleion
display_densities results/mcphas.mf mcphas
  mcphas.j cif2mcphas and makenn
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
display_density *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
formfactor *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
ic1ion *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
makenn mcphas.j cif2mcphas
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
mcdiff mcdiff.in mcphas and setup_mcdiff_in
    cif2mcphas
mcdisp mcdisp.par Editor, copy from existing example
  mcdisp.mf mcphas and setup_mcdisp_mf
  mcphas.j cif2mcphas
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
mcphas mcphas.ini copy from existing example and edit
  mcphas.j cif2mcphas and makenn
  [mcphas.tst] copy from existing example and edit inserting
    spinconfigurations from results/mcphas.sps
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
powdermagnon mcphas.j cif2mcphas
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
  results/mcdisp.qei (option -r) mcdisp
searchspace *.forfit editor, copy of file * with fitting parameter starting value range
  calcsta editor, batch file for calculation of sta
setup_mcdiff_in results/mcphas.mf mcphas
setup_mcdisp_mf results/mcphas.mf mcphas
setup_mcphasjforfit mcphas.j cif2mcphas
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
setup_jqfit mcphas.j cif2mcphas
  *.sipf copy from existing example and edit with mcphaseexplorer mpe
singleion *.sipf copy from existing example and edit with mcphaseexplorer mpe
    cif2mcphas and edit with mpe
simannfit *.forfit editor, copy of file * with fitting parameter starting value range
  calcsta (linux) editor, batch file for calculation of sta
  calcsta.bat (windows) editor, batch file for calculation of sta