[xcrysden] error in pwo2xsf.sh

Tone Kokalj tone.kokalj at ijs.si
Wed May 27 11:04:44 CEST 2009


On Mon, 2009-05-25 at 17:31 -0500, TAE BUM LEE wrote:
> Hi,
> 
> Does anybody know how to fix the problem of XCrySDen 1.5.17-semishared
> to read pwscf output file?
> When I try to open pwscf ouput in example directory of
> Quantum-Espresso tutorial (4.0.5), the error message is generated.
> 
> Error: while executing 
> exec sh
> /usr/local/bin/XCrySDen-1.4.
> 1bin-static/scripts/pwo2xsf.sh --optcoor
> /home/taebum/Desktop/examples_pwgui/Si.pw.out > pwo2xsf.xsf.

First of all, you are still using the version 1.4.1 (as seen above).
Change your ~/.bashrc (or ~/.cshrc, depending on the shell you are
using) to point to your new installation.

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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