[CP2K:1402] Re: Core level shift

[carlo antonio pignedoli]

Mmmh in this case I will have a look on a GAPW one.

Could you please give me one?

Thanks a lot Marcella,
Ciao

Carlo

On Mon, Oct 6, 2008 at 12:01 PM, Marcella Iannuzzi
<marcella.ia... at psi.ch> wrote:
>
>
> Dear Carlo,
>
> I have many examples of input-files to simulate core level spectroscopy
> with GAPW and using all-electron calculations.
> Core level spectroscopy done within the pseudo-potential approximation
> is not implemented in
> CP2K.
> ciao
> Marcella
>
> On 6 Oct 2008, at 11:53, c.pignedoli wrote:
>
>>
>> Dear all,
>> does anybody have an input example  to compute core level shifts in
>> GPW?
>>
>> Thanks in advance,
>>
>> Carlo
>>
>>
>>
>> >
>
>
> >
>