My impression is that for the forces the full hybrid functionals won't give you better results, but your computer will get much hotter!!!
________________________________ De: wien-boun...@zeus.theochem.tuwien.ac.at <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de kadda AMARA <kamara...@gmail.com> Enviado: jueves, 24 de diciembre de 2015 06:24 a. m. Para: wien@zeus.theochem.tuwien.ac.at Asunto: [Wien] relaxation of atomic positions with the full hybrid functionals Hi, Is it possible to perform relaxation of atomic positions (mini or MSR1a) with the full hybrid functionals? best regards
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