[Wien] 2D slice of the Fermi Surface

Mat Ogawa lerl2 at kobe-u.ac.jp
Thu Dec 11 04:01:55 CET 2008


Dear all:

Could anyone teach me how to draw 2D slice of the Fermi Surface (FS) on 
Wien2k?

As far as I can remember, Xcrysden enabled me to generate 3D FS of any 
branch, but, as for 2D slice of FS, I had to manage to make a case.klist 
corresponting to a specific plane under consideration and run lapw1 and 
lapw2 consecutively on Wien97.

I think of a way to extract 2D data from a 3D BXSF file saved in the 
Xcrysden FS routine and make an appropriate code to draw the 2D slice or 
transfer a file similar to the XSF and use Xcrysden density plot --- but 
a bit tiresome. Am I demanding?

Thank you in advance,
Regards,

Matthew



More information about the Wien mailing list