Quang Nguyen

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CHGCAR Utility

NEW! A newer version of this program can be found here.

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

NOTES
For non-spinpolarized and/or non-collinear calculations this may not work.
If 'd' option is used, only information of the first file is printed out.
With 'd' option, 'file' is CHGCAR of full system (file = file1 + file2).

EXAMPLES
Get spin density from CHGCAR and save to XSF format
chgutil -s CHGCAR --> output is SPNDEN.xsf
Get charge difference and save to XSF format
chgutil -d CHGCAR CHGCAR1 CHGCAR2 --> output is CHGDIFF.xsf

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.