Quang Nguyen

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MISCELLANEOUS

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 Read More...

CHGCAR Utility: Update 1

This program is for manipulating CHGCAR file(s) created by VASP calculation(s)

WHAT’S NEW
- Support non-collinear calculation
- Support non-spin polarized calculation
- Get spin density difference
- Split charge density into up and down
- Print out volume, species information
- Fix unit of XSF file (e/Angstrom^3 -> e/Bohr^3)
- Set output files for VASPVIEW Read More...

CHGCAR Utility

This program is for manipulating CHGCAR file(s) created by VASP calculation(s)

REQUIREMENTS
VASP 4.x: POTCAR, CHGCAR file(s) from VASP calculation(s)
VASP 5.x: CHGCAR file(s) from VASP calculation(s)

USAGE
chgutil -h : Display program help
chgutil -s file : Get spin density & save to XSF format
chgutil -c file : Get charge density & save to XSF format
chgutil -d file file1 file2 : Get charge difference & save to XSF format Read More...