[Wien] xcrysden to plot Fermi surface

[Peter Blaha]

You are using an old version of xcrysden. The new version does not suggest these changes anymore.

You do not need to follow the steps listed in xcrysden, but can do all this (except the real plotting,
i.e. the last step) by hand.
You need:

A very dense UNSHIFTED !!!! k-mesh.(x kgen)
run x lapw1    with this mesh
x lapw2 -fermi
Now call xcrysden and just visualize the FS.

Am 13.04.2012 23:21, schrieb Yundi Quan:
> Dear Sir/Madam,
> My question may not be directly related to WIEN2k. When plotting Fermi
> surface using XCrysden, it says that case.in1 should be changed into
> unit 5. But if I change case.in1 to unit 5, I would always get an
> error message saying that kpoints in case.in1 is inconsistent with the
> kpoints in case.kgen. Should case.in1 be changed into unit 5?
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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