[Pw_forum] problem in plotting fermi surface using xcrysden for 2D material

Tone Kokalj tone.kokalj at ijs.si
Tue Jul 8 10:36:23 CEST 2014

On Fri, 2014-07-04 at 14:36 +0530, Anjali Singh wrote:
> Even taking k-point more than 1 in non-periodic system is not solving
> the problem.

Use at least three k-points for the 3rd (non-periodic) direction, i.e.,
the mesh of point in the bxsf file should be at least NxMx3. If xcrysden
still crashes with such a mesh, then send to my (private) email the
corresponding bxsf file.


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 users mailing list