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by gramos
Fri Nov 09, 2012 2:04 am
Forum: Bader
Topic: Charge transfer calculation error:Number of points not same
Replies: 10
Views: 32272

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 ...