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: 7373

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 Bade...