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- Tue Oct 06, 2015 5:54 am
- Forum: Bader
- Topic: what is difference between CHGCAR and CHGCAR_sum?
- Replies: 1
- Views: 12476
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 doe...