[Q-e-developers] GPL evolutionary algorithm interfaced with QE

[Paolo Giannozzi]

On Sep 26, 2010, at 5:46 , ezurek at buffalo.edu wrote:

> [...] we have written an evolutionary algorithm designed
> to predict crystal structures, as an extension to the Avogadro
> molecular editor. Both our program "XtalOpt", as well as "Avogadro"
> are released under the GPL. One of the codes that XtalOpt has
> been interfaced with is Quantum Espresso.

very interesting! thank you a lot

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