[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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