[Pw_forum] monoclinic system number of atom generated is incorrect

Paolo Giannozzi p.giannozzi at gmail.com
Sat Jun 11 08:43:39 CEST 2016


On Wed, Jun 8, 2016 at 9:08 PM, Lorenzo Donà <lorechimica91 at hotmail.it> wrote:

> where or how can i find the Bravais lattice vectors for a system??

what do you mean? they aren't uniquely defined. The specific choice
done by QE is described in the input documentation and reprinted on
output.

-- 
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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