Bader analysis
Posted: Wed Dec 02, 2009 1:18 pm
Which charge file is required for Bader charge analysis? Is it CHGCAR or CHGCAR -ref CHGCAR_SUM ?
What will be the next step after generating ACF.dat,AVF.dat,BCF.dat files?
Please respnse as early as possible
Shyamal Konar
What will be the next step after generating ACF.dat,AVF.dat,BCF.dat files?
Please respnse as early as possible
Shyamal Konar