[Wien] Error while running +/- 0.5e calculation
Abed Reg
jazairdz at gmail.com
Mon Jan 5 15:24:03 CET 2015
Thanks for all
I have repeated the calculation with the runsp_lapw command (Note: the
first calculation is done with the w2web interface) but i have a problem of
convergence as the following, a problem that i didn't find with the w2web
interface:
in cycle 40 ETEST: .0277655000000000 CTEST: .5085582
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
> energy in SCF NOT CONVERGED
First, i want to know the default energy convergence criteria value when we
use the commande 'runsp.lapw"
Second, what causes this problem?
I'll be very grateful
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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