[Wien] QTL-B errer message
liyh
lyhua at fudan.edu.cn
Thu May 19 14:05:00 CEST 2005
Dear Wien users,
When I calculate the ZnSe bulk, I meet this error message.
... ...
ec cc and fc_conv 0 1 1
in cycle 9 ETEST: .0000020000000000 CTEST: .0001421
FORTRAN STOP LAPW0 END
FORTRAN STOP LAPW1 END
FORTRAN STOP LAPW2 END
FORTRAN STOP CORE END
FORTRAN STOP MIXER END
ec cc and fc_conv 0 1 1
in cycle 10 ETEST: .0000100000000000 CTEST: .0000767
FORTRAN STOP LAPW0 END
FORTRAN STOP LAPW1 END
FORTRAN STOP L2main - QTL-B Error
My command is:
run_lapw -ec 0.000001 -in1new 10
I dont know why I will meet this error message when I reset the case.in1c file.
I search all the file I only find these two QTL-B message:
znse.output2: QTL-B VALUE .EQ. 1.91239 in Band of energy 0.00000
znse.scf2: QTL-B VALUE .EQ. 1.91239 in Band of energy 0.00000
It seems there no ghost band, then I dont know why I meet this error message.
Best regards
Yonghua
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