[Wien] QTLB error in SOC+U calculation
Muhammad Sajjad
sajjadpu at gmail.com
Wed Jan 13 21:51:33 CET 2016
Dear All
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
> stop error
The file uplapw2.error says "'l2main' - QTL-B.GT.15., Ghostbands, check
scf files"
--
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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