[xcrysden] XcrysDen - CRYSTAL configuration Help

Tone Kokalj tone.kokalj at ijs.si
Thu May 30 14:48:06 CEST 2013


On Thu, 2013-05-30 at 11:53 +0200, Fedele Stabile wrote:
> Hello,
> may I have help to install XCrysDen and  be able to use Crystal Inputs?
> 
> I just  installed xcrysden-1.5.53-bin-semishared and CRYSTAL09.v.2.0.1
> 
> Now I have problems configuring xcrysden:
> I created through xvConfigure.sh a file for custom definitions in which
> there is the name of the executable of crystal, but it doesn't work:
> xcrysden doesn't recognize crystal.
> Do I have to indicate instead runcry09 (in utils09 folder) which
> contains also variable environment definitions?

Please consult this document:

http://www.xcrysden.org/doc/custom.html

and if you will still face problems, then email me your
~/.xcrysden/custom-definitions file.

Regards,
-- 
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.
See:  http://www.gnu.org/philosophy/no-word-attachments.html



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