[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)

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