[Pw_forum] BFGS & Wolfe condition

Paolo Giannozzi giannozz at nest.sns.it
Thu Sep 20 17:56:48 CEST 2007

On Sep 20, 2007, at 17:38 , Marcello Rosini wrote:

> I' am performing a bfgs relaxation
> after 3 scf cycles and one bfg relaxation I get
> "wolfe condition not satisfied"
> and the program stops.

are you sure you didn't simply reach the time limit?
"wolfe condition not satisfied" is not an error condition

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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