Dear Sir,
Thank you, Your explanation was very helpful to me.
I have also checked with the k-mesh in fbz and the PDOS are as expected.
Regards
Asif Ali
On Mon, Jan 3, 2022 at 10:09 PM Peter Blaha
wrote:
> We are using a k-mesh consisting of points only in the irreducible part
> of the BZ
We are using a k-mesh consisting of points only in the irreducible part
of the BZ (IBZ). Therefore this set of k-points does not contain the
full cubic symmetry, but a symmetrization is necessary.
This is done automatically in lapw2, and thus you should use x lapw2
-qtl to produce the
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