[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
------------------------------------------------------------------
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
------------------------------------------------------------------
Tel.:7(3412) 432045(office), 722529(Fax)
E-mail: lyu at ftiudm.ru, lyuka17 at mail.ru (office)
lyuka17 at gmail.com (home)
Skype: lyuka17 (home), lyuka18 (office)
http://ftiudm.ru/content/view/25/103/lang,english/
------------------------------------------------------------------
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
More information about the Wien
mailing list