[Wien] error in lapw1
shahram soleimanpour
shsolimanpour at gmail.com
Mon Oct 28 21:08:54 CET 2019
Dear Prof. Blaha and Wien2k users,
I am doing MBJ calculations for graphene-like structurs
i counter with error in cycle 12 like:
error in LAPW1
Cholesky INFO = 1
'SECLR4' - POTRF (Scalapack/LAPACK) failed.
could you help me for solving this problem?
best,
Shahram
--
*$h at hr@m <$h at hr@m>*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20191028/24d2bfa4/attachment.html>
More information about the Wien
mailing list