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
FeNi.in1
Description: Binary data
FeNi.struct
Description: Binary data
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