Dear users, I start a run_lapw -cc 0.0001 -in1new3 for a fcc unit cell but after 4 cycle it stops because of the followed error at lapw1:
Cholesky INFO = 12935 'SECLR4' - POTRF (Scalapack/LAPACK) failed. Would you please help me? Is there anything wrong with the method of diagonalization or anything else? Thanks in advance Samaneh javan -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080507/9b5bf245/attachment.html
