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by azsa
Tue Oct 06, 2015 5:54 am
Forum: Bader
Topic: what is difference between CHGCAR and CHGCAR_sum?
Replies: 1
Views: 14306

what is difference between CHGCAR and CHGCAR_sum?

Dear all,

i have no experience for Bader charge. Recently I used VASP to calculate the Bader charge for metal/metal interface.

1. i found charge transfer about 1 e between metals: one looses about 0.5e, and another gains about 0.5 e.

i think it's too big value...?

i checked charges in OUTCAR,but ...