[Wien] How to fix this error?

Abed Reg jazairdz at gmail.com
Tue Jan 20 15:45:24 CET 2015


Hello again

The problem still at the level of LAPW2 program.

I have tried to do the calculation of the example of Ni , there is no
problem in initialization but i found the error when doing SCF calculation
when i obtained this message:

regabdou at algerien1970-Dell:~/WIEN2k/Ni-ferro$ runsp_lapw
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW1 END
STOP LAPW2: semicore band-ranges too large
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error

>   stop error


-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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