pdos and wavefunction cube files are not consistent?

[Marcella Iannuzzi]

Hi Alex, 

this sounds very strange. Can you please provide the input file, including 
the coordinates. 
Thanks
Marcella


On Thursday, April 6, 2017 at 5:50:47 PM UTC+2, Alex Vozny wrote:
>
> I'm having the above issue in one of my calculations:
> I have two nearly non-interacting molecules
> When I look at the HOMO of the whole system, the PDOS shows that it is 
> fully (say 99%) localized on one molecule
> when I look at the HOMO cube file, it is almost 50/50 delocalized on both.
>
> Initially I though I was doing something wrong but now I've heard it 
> reconfirmed by other people.
> How do I proceed to bring this to developers' attention and investigation 
> of the origin of the problem?
>
> Alex
>
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