[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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