[xcrysden] XcrysDen - CRYSTAL configuration Help
Tone Kokalj
tone.kokalj at ijs.si
Fri May 31 09:10:47 CEST 2013
On Thu, 2013-05-30 at 16:28 +0200, Fedele Stabile wrote:
> This is my custom-definitions file:
>
> set system(c95_exist) 1
> ------------------------------------------------------------------------
> # CRYSTAL modules
> ------------------------------------------------------------------------
>
> set system(c95_crystal) /apps/CRYSTAL09.v.2/bin/Linux-ifort_XE_openmpi-1.6_emt64/v2_0_1/crystal
> set system(c95_properties) /apps/CRYSTAL09.v.2/bin/Linux-ifort_XE_openmpi-1.6_emt64/v2_0_1/properties
This looks OK. Did you verified that the specified path is correct and
that "crystal" and "properties" binaries have executable permissions.
If the answer to all these question is yes, then you should describe in
more details the cause that prevents the viewing of Crystal inputs.
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
More information about the XCrySDen
mailing list