[Pw_forum] Cholesky decompsition in nscf calculation
Ngoc Linh Nguyen
nnlinh at sissa.it
Wed Feb 10 12:36:40 CET 2010
> 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
>
That question is very common in PW_forum.
The error maybe relate to a numerical problem, or a problem with
mathematical libraries/, or some other weirdness. /
Let run with the new version >= 4.0.1.
Linh
> Suggestions welcome!
> Dimpy
>
> UCC
> Ireland
>
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