[QE-users] cholesky Error

Amin Mirzai amin.mirzai at mek.lth.se
Mon Apr 9 12:49:56 CEST 2018

Thanks for the hint, I understand this topic has already been discussed. However, after doing all possible variations I still get the same error.

Anyhow, I believe there is not any explicit answer to this issue.



From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paulatz at gmail.com>
Sent: Monday, April 9, 2018 10:00:13 AM
To: users at lists.quantum-espresso.org
Subject: Re: [QE-users] cholesky Error

On 09/04/18 09:57, Amin Mirzai wrote:
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine  cdiaghg (251):
>        problems computing cholesky
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
This is one of the most regularly asked questions. This error typically
comes from bad geometry (i.e. ions core regions overlapping), bad
pseudopotentials (should not happen with anything from usual libraries)
or problematic input parameters with advanced features (i.e. lda+U, exx,...)

kind regards

Lorenzo Paulatto - Paris
users mailing list
users at lists.quantum-espresso.org
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180409/5b1d7a63/attachment.html>

More information about the users mailing list