[xcrysden] Bug report: Calculation of 3D grids

[Tone Kokalj]

On Wed, 2012-05-09 at 17:15 +0200, Georg Eickerling wrote:
> Dear Xcrysden users,
> 
> I am mainly using Xcrysden's interface to WIEN2K and here the ability to
> create 3D grid files of the electron density.
> 
> I want to report a bug which might result in quite a waste of
> computational time (LINUX Version tested only):
> 
> ....
> 
> My current workaround:
> 
> In :
> xcrysden-1.#.##-bin-semishared/Tcl/wnRunWIEN.tcl
> 
> delete the command:
> grab $mw
> in lines 43 and 62
> 
> I hope this is of interest also for other users

Thanks for you report! 

Could you check if instead of deleting these lines, the following would
also work:

catch { grab $mw }

Would this work, it would be preferred over deleting.

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