[Wien] Beween non spin polarized and spin polarized calculations

[djamel slamnia]

 i'm  using hf hybrid functional i tryed to do minimisation MSR1 but i cant get convergence what is the solution in your opinion ??   thank in advance 
    Le dimanche 17 novembre 2019 à 18:36:12 UTC+1, Abderrahmane Reggad <abde.reggad at gmail.com> a écrit :  
 
 Thanks xavier for the interesting article and useful information
My new question is : what's the relationship between the unpaired electrons and the orbital contribution. I think that the unpaired electrons are always related to the spin contribution.
Best regards

-- 
Dr. Abderrahmane Reggad
Engineering Physics LaboratoryFaculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, AlgeriaTel: +213(0)561861963 - Algeria
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