[Wien] Error in mbj (run_lapw -i 80)

mourad boujnah boujnah.mourad at gmail.com
Thu Jul 25 16:16:09 CEST 2013


Dear wien2k users and Prof Blaha,
I am running the wien2k 13. I want to do my calculation by
mBJapproximation but i find this error when i throw
the commande below :
>> run_lapw  -i 80
hup: Command not found.
 LAPW0 END
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 2    ETEST: 0   CTEST: 0
hup: Command not found.
 LAPW0 END
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 3    ETEST: 0   CTEST: 0
hup: Command not found.
EFG - Error

>   stop error


lapw0.error file:

Error in LAPW0
 'EFG' - max order of QR-alghorithm exceeded.

Please help to resolve this problem and thank you in advance.

Cordially

-- 
Mourad BOUJNAH
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Tel: *+212 **677316706*
Email: *boujnah.mourad at gmail.com
**"Research is to see what everybody else has seen, and to think what
nobody else has thought"*
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