[Wien] What's the difference between the spin-polarized and the non spin-polarized calculations

[Gavin Abo]

If you haven't already done so, I suggest looking at and comparing 
slides 76 and 77 in the WIEN2k presentation "Relativistic effects, 
non-collinear magnetism (NCM)", which can currently be found at

http://www.wien2k.at/onlineworkshop/

Of note, "sp" should be added under the magnetic case on slide 78 so 
that it looks like slide 21 in the the file at

http://www.wien2k.at/events/ws2008/talks/Laskowski-SO-NCM.pdf

On 10/18/2016 8:39 AM, Abderrahmane Reggad wrote:
> Dear wien2k users
>
> I have checked many discussions about the difference between the SP 
> and the non SP calculations and I didn't find a sufficient explanation 
> that removes the ambiguity .
>
> So I want to know the difference between the 2 calculations at the 
> level of imput and results for a non magnetic system and for a 
> magnetic one.
>
> Best explanation I foud up to now is the following link:
>
> http://www.southampton.ac.uk/assets/centresresearch/documents/compchem/DFT_L10.pdf
>
> Best regards
>
> -- 
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
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