[Wien] (no subject)

[Peter Blaha]

you probably did a bandstructure before that, or a non-parallel calculation or ....
You need eigenvectors on the regular tetrahedral k-mesh.

x lapw1 -p
x lapw2 -p -qtl

Am 12.04.2014 19:14, schrieb sikandar azam:
> Dear All
> Please help me, I am calculating the density of states but when i give this command
> x lapw2 -p -qtl
> i get this error
> Error in LAPW2
>   'FERMI' - number of k-points inconsistent when reading kgen
>   'FERMI' - check IN1 and KGEN files!
>
> so please help me in solving this problem.
> WIth regards
> sikander
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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