[Pw_forum] problems computing cholesky

[Kanak Datta]

Dear Dr. Paulatto

Instead of default Davidson diagonalization, I changed to 'CG' and the
error was gone. I did not change anything else. I suppose it would not
change the bandstructrue calculation.

Regards
Kanak

_______________________________________
Kanak Datta
Graduate Student
Electrical  Engineering and Computer Science
University of Michigan, Ann Arbor

On Tue, Apr 4, 2017 at 4:02 AM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> On mardi 4 avril 2017 03:22:26 CEST Kanak Datta wrote:
> > Dear researchers
>
> Dear Kanak,
> it is very likely that you put the atoms in the wrong positions.
>
> kind regards
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 442 79822 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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