[xcrysden] Visualizing the Fermi surface

Tone Kokalj tone.kokalj at ijs.si
Fri Nov 18 15:11:25 CET 2011


On Wed, 2011-11-16 at 14:08 +0100, Igor Lukacevic wrote:
> Dear all,
> 
> I'm trying to visualize the Fermi surface using the bxsf file created
> by abinit. The file itself looks ok, but when I open it in xcrysden,
> there is no surface for any selected band, only an empty BZ.

Did you specify the correct Fermi energy?

What does the band-widths plot show, which is displayed prior to
Fermi-Surface viewer appears? Do the bands cross the Fermi energy?

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