[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
More information about the users
mailing list