[CP2K-user] [CP2K:11007] Printing electrostatic potential with GAPW

[Soumya Ghosh]

Dear Prof. Hutter,

Thanks.

On Thursday, December 6, 2018 at 2:17:26 PM UTC+1, jgh wrote:
>
> Hi 
>
> the electrostatic potential in GAPW is calculated from several 
> different parts. The plane wave grid part used in GPW and printed 
> in V_HARTREE is only one of them. The separation between the different 
> parts 
> is somewhat dynamic and it would not make sense to only output one term. 
> Check the GAPW (and PAW) literature for more information. 
>
> regards 
>
> Juerg Hutter 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: hut... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----cp... at googlegroups.com <javascript:> wrote: ----- 
> To: "cp2k" <cp... at googlegroups.com <javascript:>> 
> From: "Soumya Ghosh" 
> Sent by: cp... at googlegroups.com <javascript:> 
> Date: 12/04/2018 02:27PM 
> Subject: [CP2K:11007] Printing electrostatic potential with GAPW 
>
> Dear Developers, 
>
> I have a naive question. I was wondering why electrostatic potential 
> (V_HARTREE) is printed only for GPW but not with GAPW. Is it something that 
> has not yet been implemented or is it not meaningful to print this 
> quantity? Please let me know.   
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