HELLO, i need help in the use of program of bader analysis, and i need somme example of file of charge density of any material because i need to create a data base of the charge density of maximum element in the VASP format(CHRCAR° who can exist for my project of study.
TANCK YOU
need help in VASP
Moderator: moderators
Examples of CHGCAR files are on our Bader webpage:
http://theory.cm.utexas.edu/bader/
in the Examples section.
http://theory.cm.utexas.edu/bader/
in the Examples section.