[xcrysden] joining xcrysden with espresso (Yusuf Zuntu)
Tone Kokalj
tone.kokalj at ijs.si
Thu Sep 27 17:06:45 CEST 2012
On Thu, 2012-09-27 at 13:15 +0200, Eduardo Ariel Menendez Proupin wrote:
> if you have prepared an input file, let's say inputfile.in , you
> visualize the structure with
>
>
> xcrysden --pwi inputfile.in
>
>
> The help is seen typing
>
>
> xcrysden --help
In addition to this, you will probably also need:
xcrysden --pwo inputfile.out
which will visualize the structures contained in the output file (in
case you do structural relaxation or MD).
Regards, Tone
--
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
(tel: +386-1-477-3523 // fax:+386-1-477-3822)
Please, if possible, avoid sending me Word or PowerPoint attachments.
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