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- Fri Nov 09, 2012 2:04 am
- Forum: Bader
- Topic: Charge transfer calculation error:Number of points not same
- Replies: 10
- Views: 31275
Re: Charge transfer calculation error:Number of points not s
Dear All. Im trying to do some calculations in the same topic. Im a trying to calculate one single atom charge transfer to a surface. I have a CHGCAR for the adsorbate(A), one for the surface(S) and one for the complex Surface-adsorbate (S-A). To analyze the Charge transfer I used the chgsum.pl to ...