Dear Friends, We have compiled our wien2k v7.03 by ifort 10 & MkL 9 . I had no problem while executing scf completely but now for band strructure I can not run x lapw1 -band. The error that halts my lapw1 can be seen as follows:
Cholesky INFO = 8163 'SECLR4' - POTRF (Scalapack/LAPACK) failed. Would you please help me solving this problem? If I should give more information tell me please. Thanks in advance Samaneh Javan -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080302/16f4b6df/attachment.html