2012
CHGCAR Utility: Update 1
05/11/2012 17:07
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...
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
01/11/2012 00:00
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...
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...