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

Reply via email to