[Pw_forum] q-point for Negative Bravais Lattice (-12) for lambda.x execution

[Paolo Giannozzi]

Modify code PW/tools/kpoints.f90 to work with negative values of
ibrav. Likely, the changes are very simple.

Paolo

On Wed, Jun 21, 2017 at 4:29 PM, Isaiah Moses <imoses87 at gmail.com> wrote:
>  Dear users,
> Please I'm doing a PHonon calculation for a monoclinic structure with ibrav
> = -12.
> I've tried using kpoints.x to generate q-points for lambda.x input file but
> there is no negative value among the bravais lattice numbers.
>
> Can some one please advice me on what I can do to obtain q-point with their
> weight for a structure with ibrav = -12.
>
> Thanks a lot,
> Isaiah
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>
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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