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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