[Wien] Difference between case.inst files for non spin-polarized and spin-polarized cases

Abderrahmane Reggad jazairdz at gmail.com
Sat Nov 5 16:00:23 CET 2016


Dear Wien2k Users

I want to know if there is a difference between the case.inst files for the
non spin-polarized and spin-polarized cases.

We take the example of Ni:

Ni
Ar 3
3, 2,2.0  N
3, 2,2.0  N
3,-3,3.0  N
3,-3,1.0  N
4,-1,1.0  N
4,-1,1.0  N

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