[Pw_forum] Cholesky decompsition in nscf calculation

Dimpy Sharma dimpy.sharma at tyndall.ie
Wed Feb 10 12:14:09 CET 2010


Hi there,
My scf calculation runs sucessfully hwoever the calculation is crashing if I perform the nscf calculation.Only changes I have made is I have taken 15 k points in my nscf calculation.The error message shows as follows :

task #        15
     from  pzpotrf  : error #        30
      problems computing cholesky decomposition

Suggestions welcome!
Dimpy

UCC
Ireland
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