[Pw_forum] npwx in pwscf v.4.0
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Aug 13 23:59:35 CEST 2008
Dear Peter,
nbnd now is printed as "number of Kohn-Sham states",
as concerns npwx, it is worth looking at
"Kohn-Sham Wavefunctions" right after k-points, where the firts number is npwx, the second one, again, is nbnd.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden
Condensed Matter Theory Group, Uppsala University, Sweden
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
--- On Thu, 8/14/08, Peter Winey <peterwiney at gmail.com> wrote:
> From: Peter Winey <peterwiney at gmail.com>
> Subject: [Pw_forum] npwx in pwscf v.4.0
> To: pw_forum at pwscf.org
> Date: Thursday, August 14, 2008, 1:22 AM
> Dear all,
>
> I just noticed that in pwscf v4.0, some information, such
> as nbnd and npwx
> etc,
> are no longer printed out in the pw.x output file, even
> when I used
> "verbosity= high".
>
> I am particular interested in knowing "npwx". Is
> there a quick way of
> getting it or
> do I have to go back to version 3.2.x?
>
> Thanks in advance!
>
> -Peter
>
> ********************************************
> Peter Winey, Ph.D., DuPont
> peterwiney at gmail.com
> ********************************************
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