[Wien] lapw1 error

hua peng penghua85 at gmail.com
Sat Nov 27 15:40:01 CET 2010


Dear users,

I have performed a simple scf calculation for SrTiO3 using Wien2k_08. If I
run scf with k point set to 100, it runs smoothly. But when I increase the
number of k point to 1000 or 10000, it stops and shows error:

LAPW0 END

SELECT - Error

>   stop error



In *lapw1.error* file

“'SELECT' - no energy limits found for L= 0


 'SELECT' - E-bottom -200.00000   E-top -200.00000”



When I run the job parallel, it shows error

LAPW1 END

 LAPW1 END

 LAPW1 END

 LAPW1 END

 LAPW1 END

 LAPW1 END

LAPW2 - FERMI; weighs written

 LAPW2 END

 LAPW2 END

 LAPW2 END

 LAPW2 END

 LAPW2 END

 LAPW2 END

 SUMPARA END

 CORE  END

 MIXER END

(standard_in) 1: illegal character: N

(standard_in) 1: illegal character: N

(standard_in) 1: illegal character: N

(standard_in) 1: illegal character: N

(standard_in) 1: illegal character: N

(standard_in) 1: illegal character: N

ctest: Subscript out of range.



Does anyone have a comment? How should I fix this problem? I'll appreciate
your answer.



Regards

Hua Peng

---------------------------------
Hua Peng
Department of Physics
ShanDong University
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