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- Mon Apr 22, 2013 8:31 am
- Forum: Bader
- Topic: DOS Projection in Bader Volumes (total charge problem)
- Replies: 0
- Views: 18811
DOS Projection in Bader Volumes (total charge problem)
Hi, I tried the Cu_Pt example of DOS projection in bader volume. I got a problem about the result. That is: in priciple, the bader volume has no missing area which means the sum of bader volume is equal to the total cell volume. So if we project the charge into the bader volume, the sum of the atomi...