Quang Nguyen

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DOSCAR Utility: Update 2

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 A newer version of this program can be found here.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

WHAT’S NEW
- Fixed a bug (for systems which have more than 100 atoms)

USAGE
dosutil -h : Display program help
dosutil -t output : Get total DOS
dosutil -a output : Get projected DOS for all atoms
dosutil -p N output : Get projected DOS for atom N
dosutil -s1 N1 N2 output : Sum up projected DOS from atom N1 to atom N2
dosutil -s2 N1 N2... output : Sum up projected DOS of atoms N1, N2,...

NOTES
- Please do not use number only for output file
- If no output option is set, program will write to default file with prefix 'i'
- 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:
If there is any problem, please contact me.