[Wien] [wien] symmetry operations to generate all k points from IBZ?

[Peter Blaha]

Do you know that:

xcrysden can plot Fermi-surfaces (very fancy and userfriendly interface)

WIEN2k has a module    fsgen,   which generates k-meshes in certain 
planes for certain symmetries and allows to draw 2D-cuts of fermi 
surfaces. This module is certainly NOT so userfriendly and could be 
improved/generalized. But it may serve as a good starting point.

BJ Kim schrieb:
> Dear Wien2k users,
> 
> I am writing a macro to plot the Fermi surface from the data file of 
> E(k) for k points in the irreducible Brillouin zone. Can anybody show me 
> how to generate all other k points using symmetry operations listed in 
> the .struct file? Or, is there a way to generate .klist for all k-points 
> in the Brillouin zone to just compute by brute force the whole BZ?
> 
> Best,
> BJ
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien