[Pw_forum] atomic position and cell parameters clarification

[Paolo Giannozzi]

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 <
lorenzo.pedrazzetti at polimi.it> 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.
>
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>



-- 
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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