[Wien] Spin changes

Shalika R. Bhandari prakas8 at gmail.com
Sun Dec 3 05:12:17 CET 2017


Dear wien2k users, when I provide different magnetic configuration like
uuuu,uddu,udud ,uudd to run scf cycle ,after some itiration its spin
changes automatically and gives same minimum energy after convergence . So
it being difficult to find the most stable state ..
Why this happens and how to remove it?
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