Quang Nguyen

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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

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

USAGE
chgutil -h : Display program help
chgutil -x file : Split charge into up and down
chgutil -s file : Get spin density
chgutil -c file : Get charge density
chgutil -ds file file1 file2 : Get spin density difference
chgutil -dc file file1 file2 : Get charge density difference

NOTES
For charge/spin difference, the first file is CHGCAR of full system and only information of this file is printed out.

EXAMPLES
Get spin density from CHGCAR
chgutil -s CHGCAR -> create SPNDEN.xsf & SPNDEN.vasp
Get charge density difference
chgutil -dc CHGCAR CHGCAR1 CHGCAR2 -> create CHGDIFF.xsf & CHGDIFF.vasp

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.