[Wien] error message

Yundi Quan quanyundi at gmail.com
Tue Dec 18 12:30:10 CET 2012


Hi,
I'm running wien2k on a cluster. I set the lattice constants to be 10
Angstrom. And there are two atoms per unit cell. (Lattice constants are set
to be 10 Angstrom on purpose.) After many iterations, I got following error
message. Has anyone ever dealt with it? Thanks.

Error in LAPW1
 Cholesky INFO =         2517
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.


Yundi
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