[Wien] DOS with -hf

[Peter Blaha]

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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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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