There are pages of explanations in the input documentation (PW/Doc/INPUT_PW.*) on how to define a crystal structure, plus many examples in PW/examples
Paolo On Wed, Sep 7, 2016 at 2:24 PM, Lorenzo Pedrazzetti < [email protected]> wrote: > Good afternoon, > > I am a very new QE-PW user and i am badly stuck with the ibrav = 0 option > to introduce a conventional cell. By now i have tride with Copper without > any meaningfull result. > > I would like to understand how data have to be put in order to perform a > calculation using ibrav = 0 or, eventually, a simple example of how the > input should be compiled in order to do so. Copper would be a good starting > point. > > I would like to thanks whoever is going to answer for the collaboration > and the immense aid to my work. > > Best regards, > > Lorenzo Pedrazzetti. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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