Dear users,<br> I start a run_lapw -cc 0.0001 -in1new3 for a fcc unit cell but after<br>4 cycle it stops because of the followed error at lapw1:<br><br>Cholesky INFO = 12935<br> 'SECLR4' - POTRF (Scalapack/LAPACK) failed.<br>
<br>Would you please help me?<br>Is there anything wrong with the method of diagonalization or anything else?<br>Thanks in advance <br>Samaneh javan<br>