Hello, that’s the kind of question you have to solve in the first place with your supervisor (what needs be calculated, etc.), eventually with the help of QE manual.
Best regards Pascal Le 5 juin 2016 à 17:04, Ramon Valencia <[email protected]> a écrit : > Dear pwscf users, > > I would like to know how calculate the Hugoniot curve using pwscf (MD > calculation) step by step. > > Thank you in advance. > > Rezor... > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Pascal Boulet - MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIE Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 Marseille Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50 Site : http://allos.up.univ-mrs.fr/pascal - Email : [email protected] Afin de respecter l'environnement, merci de n'imprimer cet email que si nécessaire.
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