[Wien] 2D slice of the Fermi Surface

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Dec 11 07:51:09 CET 2008


There is a fsgen module in WIEN2k, see UG.

It is not perfect and maybe some steps in editing are not so clear, but 
it works reasonably.

Mat Ogawa schrieb:
> 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
> 
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