[Pw_forum] Cholesky error for SCF calculations after successful relax

[Paolo Giannozzi]

On Oct 14, 2011, at 15:22 , Jennifer Wohlwend wrote:

>                     conv_thr = 1.0d-12

this is a very strict criterion. It may lead to numerical
instabilities towards the end of self-consistency

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222