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

Abderrahmane Reggad jazairdz at gmail.com
Thu Oct 20 01:18:59 CEST 2016


Thank you Dr Gavin for your reply and also for your interesting for my
questions.

I have checked the 2 presentations but I didn't find what I look for .

It's mentionned that in non spin-polarized calculation the spin-up density
= the spin-down density . Which parameters are they monitored to make these
2 densities equal. I have read that in this case the exchange magnetic
potential will be equal to zero. I want to know if it's so or not .

Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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