Hi,
I am trying to do bader analysis..I used cp2k to create a cube file to run the bader file. When I do bader analysis, I get Zero charges. I am modeling Pt-SnO2 system. 3layer SnO2 with Pt cluster on top of it. I attached the system which I am modeling..I can't attached input files.. But I also ...
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- Sat Dec 12, 2015 8:47 pm
- Forum: Bader
- Topic: Getting Zero charges in Bader analysis
- Replies: 4
- Views: 18280