[xcrysden] Difficulties in selecting the bands to render the Fermi surface in WIEN2k interface

lung Fermin ferminlung at gmail.com
Wed Oct 7 10:57:12 CEST 2015


Thanks Dr. Kokalj! It works now.

Regards,
Fermin

2015-10-06 19:11 GMT+08:00 Tone Kokalj <tone.kokalj at ijs.si>:

> On Wed, 2015-09-30 at 17:07 +0800, lung Fermin wrote:
> > Dear Xcrysden community,
> >
> > I want to render the Fermi surface of a system containing a few
> > hundreds of atoms. The case.output1 from WIEN2k gives 2813 bands.  In
> > the pop up window of "Select bands" in Xcrysden, the tick boxes of
> > different band numbers are merely resolved and they appears like
> > Band number: 2185
> > Band number: 1
> > Band number: 2186
> > Band number: 2
>
> I was able to reproduce this problem when the number of bands is
> several thousands. It seems to be some issue of the Tk (it cannot
> handle so many check-buttons in a single row).
>
> I made a workaround: when the numbers of bands is larger than 500, the
> band-selection buttons are now arranged in a more convenient matrix
> form.
>
> Please try the current fix and let me know if it works for you, i.e.,
> copy the attached file "wnFS.tcl" into $XCRYSDEN_TOPDIR/Tcl/fs/
> subdirectory.
>
> Best 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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