[Pw_forum] assignment of spin label to electronic band

Paolo Giannozzi giannozz at democritos.it
Fri Oct 12 13:55:32 CEST 2012

On Fri, 2012-10-12 at 17:16 +0530, koushik pal wrote:

>  Is it possible to assign spin label to the electronic bands? That
> means, can we tell which band is associated with up spin and which one
> due to down spin? If possible, can somebody please tell me how to do
> that?

in LSDA calculations, k-points are listed twice: the first time foir
spin-up bands, the second time for spin-down bands

>  P.S.- I'm doing fully relativistic calculation with spin-orbit coupling.

P.S. in this case there is no such thing as spin-up and spin-down bands

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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