[Wien] QTLB error in SOC+U calculation

[Muhammad Sajjad]

What I did is
1. run simple scf (spin polarized)
2. prepared inputs for SOC and U.
3. runsp_lapw -so -orb -cc 0.0001 -ec 0.0001
The required files are attached herewith.
In structure I have Te3BiPr


On Thu, Jan 14, 2016 at 11:38 AM, Lyudmila Dobysheva <lyuka17 at mail.ru>
wrote:

> 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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-- 
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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