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by Manjusha
Wed Jul 29, 2015 2:33 pm
Forum: Bader
Topic: bader charges in bulk GaN
Replies: 0
Views: 22124

bader charges in bulk GaN

Hello I am calculating bader charges from a cube file for hexagonal GaN bulk system. The Ga and N layers in this compound are in the form of : ABA'B'ABA'B'..... where the difference between A and A' layers is that they are slightly shifted laterally with respect to each other. Similarly, the B and B...