[quote=MaxScott post_id=9566 time=1515010536 user_id=8427]
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 also tried really high ...
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- Wed Jan 17, 2018 1:46 pm
- Forum: Bader
- Topic: Getting Zero charges in Bader analysis
- Replies: 2
- Views: 106086