[Wien] Bandstructure plotting with character in a spin-polarized case

[Thomas Claesson]

OK, thanks Peter!

Peter Blaha wrote:
> The l,m decomposed partial charges are per single atom, while the total 
> partial charge of an atom includes it's multiplicity.
> 
> Eg. a p-state could have 60% Oxygen character, but the "p" character is 
> 30% when the multiplicity is 2. 
> 
> 
>>Now I want to compare the total Ni-3d character with the amount of O-2p 
>>character in the same bands. Since the structure only contains ONE 
>>O-atom I need to know if I have to multiply the O-2p character values by 
>>a factor of 2 in order for them to be comparable the sum of the Ni-up 
>>and Ni-dn character values?
>>
>>Any comments and suggestions are welcome.
>>
>>Thanks for your replies!
>>
>>Best regards,
>>Thomas Claesson
>>
>>
>>
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>>
> 
> 
> 
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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