DOSCAR Utility
10/02/2010 23:45
NEW! A newer version of this program can be found here.
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
USAGE
dosutil : Split DOSCAR into total DOS (TDOS) and projected DOS for all atoms (LDOSxxx)
dosutil -h : Display program help
dosutil -s N1 N2 : Sum up projected DOS from atom N1 to atom N2
dosutil -s N1 N2 N3... : Sum up projected DOS of atoms N1, N2, N3,...
NOTES
• The Fermi level is shifted to zero for output file(s)
• When doing calculations in VASP package, please use LORBIT=2 option in INCAR file
LICENSE
This program is a closed source software. Everyone can use it for free of charge.
DOWNLOAD
Select the appropriate platform to download a binary of the program:
• Linux, x86 (ifort)
• Mac OS X, Intel (ifort)
If you need the F90 source code, please contact me.
This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS over some groups of atoms
USAGE
dosutil : Split DOSCAR into total DOS (TDOS) and projected DOS for all atoms (LDOSxxx)
dosutil -h : Display program help
dosutil -s N1 N2 : Sum up projected DOS from atom N1 to atom N2
dosutil -s N1 N2 N3... : Sum up projected DOS of atoms N1, N2, N3,...
NOTES
• The Fermi level is shifted to zero for output file(s)
• When doing calculations in VASP package, please use LORBIT=2 option in INCAR file
LICENSE
This program is a closed source software. Everyone can use it for free of charge.
DOWNLOAD
Select the appropriate platform to download a binary of the program:
• Linux, x86 (ifort)
• Mac OS X, Intel (ifort)
If you need the F90 source code, please contact me.