[Wien] QTLB error in SOC+U calculation

Lyudmila Dobysheva lyuka17 at mail.ru
Thu Jan 14 09:38:03 CET 2016


The program came to a wrong way. Why? Nobody can guess without 
information. Start from sending files case.inorb, indm, struct; maybe 
some other files also have to be sent...
Did you used soc in "SImple scf" that runs well? If not - send case.inso.

Best wishes
   Lyudmila Dobysheva 
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14.01.2016 00:51, Muhammad Sajjad wrote:
> HOw to solve the issue of appearing QTLB erro in soc+U calculation?
> SImple scf runs well but this appear in soc+U in cycle 2 as:
> hup: Command not found.
>   LAPW0 END
>   LAPW1 END
>   LAPW1 END
> LAPWSO END
>   LAPW2 END
>   LAPW2 END
> LAPWDM END
>   CORE  END
>   CORE  END
>   MIXER END
> in cycle 2    ETEST: 7.1529263500000000   CTEST: 7.6432934
> hup: Command not found.
>   LAPW0 END
>   ORB   END
>   ORB   END
>   LAPW1 END
>   LAPW1 END
> LAPWSO END
> L2main - QTL-B Error


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