[Pw_forum] spin-polarized calculation in optimizing lattice
iphyboy at hotmail.com
Sat Aug 2 19:03:25 CEST 2008
I have a very step-in question: when optimizing the lattice,should the magnetism calculation be included ? or just the none spin-polarized calculation is OK ? I think that for a solid possessing magnetism the magnetism calculation should be used to obtain the relaxed lattice in optimizing lattice. am I right?
Any suggestion is greatly appreciated .
Thanks very much !
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