[Wien] problem with lapw1 during supercell calculations
Pooja Rana
pooja_fizix at ymail.com
Sat May 21 09:44:40 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 any such type of
error.
Please guide my by your suggestions , how to rectify the problem.
Many thanks
with kind regards,
Pooja Rana
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