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by sambader
Wed Sep 06, 2017 4:02 pm
Forum: Bader
Topic: Valence charge and total charge
Replies: 1
Views: 14587

Valence charge and total charge

Dear graeme, I am just trying to analyse the charge density I've got from vasp for CaTiO3. And here are the ACF.dat and BCF.dat I get when using just the valence charge (bader CHGCAR): ACF.dat: # X Y Z CHARGE MIN DIST ATOMIC VOL -----------------------------------------------------------------------...