[Pw_forum] BFGS & Wolfe condition
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
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