Getting Zero charges in Bader analysis

Bader charge density analysis

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lmehdizadegannam
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Joined: Mon Oct 19, 2015 5:25 pm

Getting Zero charges in Bader analysis

Post by lmehdizadegannam »

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 also tried really high cutoffs such as 1800 Hartree and less( 300 Hartee to 1800 Hartee). I don't know how I should fix this problem?
Can anyone help me?

Thank you so much.
Best,
Lida
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