XAS and XES spectra contributed by Beta spin

marci marc... at pci.uzh.ch
Tue May 1 06:51:36 UTC 2012


Dear Wang

you are right, the spectra calculation is only implemented for one
spin channel.
The extension to get spectra for both channels should be quite
straightforward, but it is not implemented yet.
regards
Marcella

On May 1, 4:28 am, Wang Wang <www... at gmail.com> wrote:
> Dear developers and users,
>
> I am trying to simulate the XES and XAS spectra of magnetic systems
> by using cp2k. I find that in present version, only Alpha spin is
> considered
> now. Am I correct or not for this?
>
> Do we already have new version to treat the spectra contributed by
> Beta
> spin? Does someone has this kind of experience?
>
> Thank you very muc for your help!
>
> Wang
>
> Science department of Ehime University, Japan


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