Search found 1 match

by mjcheng
Sat Jun 02, 2007 4:56 am
Forum: Bader
Topic: questions about using Bader for VASP calculated charge
Replies: 1
Views: 8060

questions about using Bader for VASP calculated charge

Hi all,

I am a new user of VASP and Bader. I have several questions about using bader for charge analysis.

(1) If I use US-PP as pseudopotentials to do VASP calculations, then use Bader to get the charge distrubution. Are these data reliable?

(2) Is it possible to get spin distribution by using ...