[CP2K-user] [CP2K:13462] Can we obtain excited-states forces in TDDFPT using CP2K?

[Mohammad Shakiba]

Dear Prof. Hutter,

Thank you so much for your reply.

On Friday, June 5, 2020 at 4:12:11 PM UTC+4:30, jgh wrote:
>
> Hi 
>
> this functionality is not available in CP2K. There is work in progress 
> on this, but no immediate release anticipated. 
>
> regards 
>
> Juerg Hutter 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: h... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----c... at googlegroups.com <javascript:> wrote: ----- 
> To: "cp2k" <c... at googlegroups.com <javascript:>> 
> From: "Mohammad Shakiba" 
> Sent by: c... at googlegroups.com <javascript:> 
> Date: 06/04/2020 09:39PM 
> Subject: [CP2K:13462] Can we obtain excited-states forces in TDDFPT using 
> CP2K? 
>
> Hello everyone, 
>
> My question is that is there a way to obtain the excited-states forces 
> using CP2K? 
>
> Thank you so much. 
>   
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