Two tips:
Did you do a bandstructure before the DOS ?? Then the vectorhf file may
not be on a terahedral mesh.
Also make sure that you did not change the k-mesh for HF calculations in
the trivial way only (just x kgen) but follow the UG suggestions.
It looks as if the qtl file has the qtls on a different kmesh !!
Then view case.qtl. Does it look as it should ???
Do you really have 8311 bands ??? I doubt.
How many k-points do you have ?
Compare this with your qtl file. (For BAND 1 how many "atom 1" lines do
you have ?
Am 14.01.2021 um 11:13 schrieb Serhat Ayık:
Dear Wien2k users,
In DOS calculation with -hf flag,
I do this steps
x lapw2 -qtl -hf
LAPW2 END
9.9u 0.4s 0:10.45 99.9% 0+0k 0+16184io 0pf+0w
x tetra -hf
qtl-reading error 0.0000000E+00 4 0.9992300 0.0000000E+00
0.4996100 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
0.0000000E+00 0.0000000E+00 0.0000000E+00 BAND 8311 K=
23
ISORT= 2
error reading qtl-file
0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
Is there any problem "error reading qtl- file" message?
If there is a problem, please let me know how I solve this problem?
Respects
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