[Wien] what QTL-B error appears and how to avoid this?

Muhammad Sajjad sajjadpu at gmail.com
Fri Jan 4 11:07:19 CET 2013


*Hi wien2k Members

I am running OPT for ZnTe with experimental lattice constant 6.089 A
using WC-GGA scheme. RMT reduced valuse is 5 as well as 10 %.
Every time i come across the error named QTL-B Error.
Anybody can help me please, why this error appears and how to overcome
this? Thank you. Regards*


ERROR status in OPT6.089_vol__-5.0
>   stop error

FORTRAN STOP L2main - QTL-B Error
FORTRAN STOP  LAPW1 END
FORTRAN STOP  LAPW0 END
in cycle 5    ETEST: .0052065000000000   CTEST: .0881144
ec cc and fc_conv 1 0 1
FORTRAN STOP  MIXER END
FORTRAN STOP  CORE  END
FORTRAN STOP  LAPW2 END
FORTRAN STOP  LAPW1 END
FORTRAN STOP  LAPW0 END
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