Getting Zero charges in Bader analysis

Lida Namin lidamehdiz... at gmail.com
Mon Dec 14 16:45:49 UTC 2015


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 also attached  ACF.dat generated by bader.. 
 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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