[xcrysden] cannot start XCRYSDEN

Tone Kokalj tone.kokalj at ijs.si
Sat Mar 3 10:17:05 CET 2012


On Fri, 2012-03-02 at 18:58 -0300, Elie Albert Moujaes wrote:
> Dear Tone,
> 
> I have tried what you have suggested but I am still getting the same error 
> which basically suggests that I need TOPDIR_XCRYSDEN to point to the right 
> place. 

This cannot be. There a few possibilities:

1) you mistyped something when unsetting (i.e., unset XCRYSDEN_TOPDIR)
2) you are not using the 1.5* version

new versions xcrysden prints the XCRYSDEN_TOPDIR duing startup, e.g.,

  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

XCRYSDEN_TOPDIR=/home/tone/prog/XCrySDen-1.x
XCRYSDEN_SCRATCH=/temp/tone/xcrys_tmp

what is your printed XCRYSDEN_TOPDIR line?

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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