[Pw_forum] Berry Phase calculation in antimagnetic insulator

[Paolo Giannozzi]

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