[Wien] DOS

[Peter Blaha]

The message about reading the QTLs is not error, just an information.
spaghetti dedected a case.qtl file (from your DOS calculation and noticed that it does not fit
to the bandstructure mesh. Thus one cannot make "fat-bands".

To get rid of the message, either run also the    x lapw2 -qtl -band  switch, or remove  and case.qtl.

Am 26.04.2012 11:37, schrieb ben amara imen:
> Hello!
>   I'm trying to determine the electronic structure of binary compound but when I plot its DOS, the antisymmetric gap which is an intrinsic property of each binary compound,  have
> not appeared in valence band. .However, when i plot the Band structure this antisymmetric gap appear but xspagetti give this note:
>
>   error reading QTLs (inconsistent qtl-file):
>    band:          20  k-point:          38
>    execution continued without fat-bands ...
>
>   I have tryed to correct the in1 file but the problem still ( the antissymetric gap have not appeared)
>
>   Can you help me and thanks in advance
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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