XAS and XES spectra contributed by Beta spin

[Wang Wang]

Dear Marcella，

Thank you very much for your kindly reply!

Best wishes.

Xianlong Wang

On 5月1日, 下午3时51分, marci <marc... at pci.uzh.ch> wrote:
> 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- 隐藏被引用文字 -
>
> - 显示引用的文字 -