[QE-users] cholesky Error

Lorenzo Paulatto paulatz at gmail.com
Mon Apr 9 10:00:13 CEST 2018

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

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