[Wien] relaxation of atomic positions with the full hybrid functionals

[delamora]

My impression is that for the forces the full hybrid functionals won't give you better results, but your computer will get much hotter!!!


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De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de kadda AMARA <kamaraphy at gmail.com>
Enviado: jueves, 24 de diciembre de 2015 06:24 a. m.
Para: wien at 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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