[Wien] How to do a spin polarized calculation from a non spin spolarized calculation ?

Abderrahmane Reggad abde.reggad at gmail.com
Mon Nov 18 18:02:14 CET 2019


Hello wien users

When we encounter a problem of converge in a spin polarized calculation
there is a solution which states that we do a non spin polarized
calculation which is known with its faster convergence and using the new
densities as starting densities for a new spin polarized calculation.

My question is how to do that ?

Best regards

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