[Wien] Fwd: error in lapw1 at cycle4

samaneh javan samjavan at gmail.com
Wed May 7 13:14:47 CEST 2008


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
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