[Wien] LAPW1 error

Riyajul Islam riyajul80 at gmail.com
Sun Oct 4 10:26:42 CEST 2020


Dear WIEN2k users,
I am trying to run scf on FeNi fct structure. while running I am getting
the error

**  Error in Parallel LAPW1
**  LAPW1 STOPPED at Sun Oct 4 13:53:54 IST 2020
**  check ERROR FILES!
 Cholesky INFO =          262
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.

Here I have attached the case.struct and case.in1 files.

Any help would be gratefully appreciated. Many thanks in advance.

Regards

-- 
Riyajul Islam
Ph.D Scholar
National Institute of Technology Nagaland
Chumukedima, Dimapur
Nagaland 797103, India
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