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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