[Pw_forum] where is the end of an unconverged NEB calculation
giannozz at democritos.it
Sat Nov 7 12:59:33 CET 2009
On Nov 7, 2009, at 7:45 , vega lew wrote:
> At last, I found QE has been upgraded to 4.1.1, but the QE I used
> is 4.0.3.
> I wonder whether the new vision of QE could do better than the
> older one.
it does a few things better for sure, but I don't remember major
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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