I guess I know what happens:
In WIEN2k_23 when you execute x qtl
we run firstx lapw2 -fermi -qtl (-so) before actually the qtl
program is executed, because we want to make sure that the qtl program
uses consistent *scf2 and *weight files (for instance when you changed
to a denser k-mesh
Dear All,
When running "x qtl" I am getting an error message printed in Wien 23.1
edition, see below. I tested this in couple of different test cases,
with and without FM and SOC, always the same error.
It seems this error message does not affect anything. The case.qtl file
is created, and I
I guess you really have to understand the APW method first.
If you get 120 bands, this is because of the restriction that only
eigenvalues between eg -12 to +1.5 Ry are calculated.
Depending on your RKMAX I'd estimate that the Hamiltonian is 500x500 to
1000x1000.
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You can print the
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