Manual for multiX manual.pdf
Notes_linux_setup_for_calculations
Preliminary_Notes_VBox_lubuntu_installation
multiX current 64bit linux executable file of 201210
multiX_160215 a previous 64bit linux executable file
" plt_mult xas" to produce a graph.ps file from spect-xas file calculated by multiX
"gv graph.ps", the LINUX program gv shows the calculated spectrum in the graph.ps file on your screen
cif_construct construct xtal coordinates from cif file
mk_lig make a ligands file from xtal coordinates file, first atom goes to origin in ligands file
mk_bs make a bond-stick file l0.bs for xbs viewing
xbs program to show bond-stick graphics on your screen, type h in its window to see commands
INPUT file example for a XAS calculation, containing also the xtal_field parameters (you may rename it INPUT.TXT for editing purposes; but multiX demands no extension)
SrTiO3_23076.cif a cif file example
inc_SrTiO3_Ti_first edited xtal coordinates file with Ti as core hole atom first
lig_SrTiO3_10b example ligands file from mk_lig 10 [Bohr]
graph.ps spectrum file (ps/eps) produced by multiX and "plt_mult xas" with customized energy range.
g_SrTiO3.png above file converted to png by xv, Screenshot or similar programs.
