[Wien] How we calculate formation energy for a system

wgt0771 at sina.com.cn wgt0771 at sina.com.cn
Thu Apr 23 09:38:04 CEST 2015


Dear all,
When we calculate the layer structre of P, we get the following erro :

**  Error in Parallel LAPW1
**  LAPW1 STOPPED at Wed Apr 22 23:51:41 CST 2015
**  check ERROR FILES!
Error in LAPW1
 Cholesky INFO =            1
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.
Error in LAPW1
 Cholesky INFO =            1
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.

How to solve this problem?
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