[Pw_forum] Berry Phase calculation in antimagnetic insulator
Paolo Giannozzi
giannozz at nest.sns.it
Thu Mar 1 10:33:16 CET 2007
On Feb 28, 2007, at 13:11 , yukihiro_okuno at fujifilm.co.jp wrote:
> Should I set starting magnetization also in the Berry phase
> calculation?
if the code says so, you should. It is actually not used in the
calculation.
I think that recent versions of the code no longer require to specify a
starting magnetization if it is not needed
> By the way, in the berry phase calculation should we set LDA+U option
> when I calculated previous scf run with LDA+U. ?
basically it is a bands structure calculation, so you should
Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy
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