Quang Nguyen

Personal website

DOSCAR Utility: Update 4

This program is for splitting DOSCAR file created by VASP and/or sum up the atomic projected DOS (pro-DOS) over some groups of atoms

WHAT’S NEW
- Fixed a bug for Linux binary (stars in output)
- Improved error notifications

REQUIREMENTS
DOSCAR file from VASP static calculation

USAGE
dosutil -h : Display program help
dosutil -[f]t [output] : Get total DOS
dosutil -[f]a [output] : Get pro-DOS for all atoms
dosutil -[f]p N [output] : Get pro-DOS for one atom
dosutil -[f]s1 N1 N2 [output] : Sum up pro-DOS of sequential atoms
dosutil -[f]s2 N1 N2... [output] : Sum up pro-DOS of discrete atoms

NOTES
Avoid using number only for 'output' since it might give unexpected result for 's2'. If no 'output' is set, program will write to default file with prefix 'i'. Fermi level is shifted by default, it can be switched off by using 'f' option.

EXAMPLES
Get total DOS of the system, not shifting the Fermi level:
dosutil -ft -> output is iDOS
dosutil -ft TDOS -> output is TDOS
Get projected DOS of the 2nd atom, shifting the Fermi level:
dosutil -p 2 -> output is iLDOS002
dosutil -p 2 LDOS2 -> output is LDOS2

LICENSE
This program is a closed source software. Free for non-commercial use.

DOWNLOAD
Select the appropriate platform to download a binary of the program:
If there is any problem, please contact me.