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. Regards, Amin ________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <paul...@gmail.com> Sent: Monday, April 9, 2018 10:00:13 AM To: users@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@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
