[Wien] problem in lapw1
Pooja Rana
pooja_fizix at ymail.com
Tue May 17 10:42:36 CEST 2011
Respected Prof. Blaha and dear Wien2k users
I am facing problem with lapw1 during scf of supercell in NaCl structure.
The error as:
lapw1.error
'SELECT' - no energy limits found for L= 2
'SELECT' - E-bottom -200.00000 E-top -200.00000
I have tried all corrections in related files and also checked the structure
file, it is generated successfully without any error. I have also done
supercell calculations with zincblende structure, without such error.
Please guide my by your suggestions , how to solve the problem.
Many thanks
with kind regards,
Pooja Rana
Condensed Matter Theory Group
School of Studies In Physics
Jiwaji University, GWALIOR - 474011 (M.P.), INDIA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110517/8c5638bd/attachment-0001.htm>
More information about the Wien
mailing list