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 GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Algerie
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to