[Pw_forum] BFGS & Wolfe condition

[Paolo Giannozzi]

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
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
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