[xcrysden] xcrysden & QE

[Gabriele Sclauzero]

Dear Eric,

  I believe it is difficult to say anything with such a small piece of information. You should provide at least the cp output file.
The pwo2xsf.sh is a BASH script, if you are familiar with such scripting language you can try to put some debug printout inside it, so that you'll be able to locate better the problem.

GS

Il giorno 19/feb/2011, alle ore 19.33, Eric Germaneau ha scritto:

> Dear all,
> 
> I've installed XCrySDen 1.5.21 (src-all) and quantum-espresso (QE) 4.2.1.
> I've spent hours trying to display the output of a molecular dynamics run (output cp.x  from QE package).
> When I do a $XCRYSDEN_TOPDIR/scripts/pwo2xsf.sh -ic ./si.out
> I get  "(standard_in) 1: syntax error".
> 
> Do you have any idea about what's going wrong here?
> 
>              Eric.
>                
> -- 
> Be the change you wish to see in the world
> — Mahatma Gandhi —
> 
> Dr. Éric Germaneau
> 
> College of Physical Sciences
> Graduate University of ChineseAcademy of Sciences
> Yuquan Road 19A
> Beijing 100049
> China
> 
> Please consider the environment before printing this email.
> Considérez svp l'environnement avant d'imprimer cet email.
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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