[Pw_forum] Spherical integration of spin

[Nicola Marzari]

Stefano Baroni wrote:

>> Or is there any other methods in PWscf can be used to determine 
>> oxidation state of an ion?
> 
> charge population analysis?
> 

Exactly - you want to look at the projecwfc postprocessing tool,
so that you can e.g. project onto d-atomic orbitals, and see
how much your ground state overlaps with those.

				nicola


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