[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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