[Pw_forum] a question about magnetization

Paolo Giannozzi giannozz at democritos.it
Sun Nov 29 10:49:10 CET 2009


On Nov 29, 2009, at 9:39 , mohsen modaresi wrote:

> 1) A and B have parallel magnetization direction
> 2) A and C have anti parallel magnetization direction
> could i inter this deference in calculation

with an appropriate usage of "starting_magnetization"
you should be able to select between a final state of
type 1) or 2). Energy differences may turn out to be
VERY small, though

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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