[Pw_forum] how to build cell for diamagnetic material?

Paolo Giannozzi giannozz at democritos.it
Thu Oct 1 22:27:07 CEST 2009


On Oct 1, 2009, at 22:11 , Duy Le wrote:

> starting_magnetization(1)=3
> starting_magnetization(2)=-3


actually starting_magnetization should be between -1 and 1.
The code will "renormalize" them to 1 or -1 anyway

P.
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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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