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

[Isaiah Moses]

Thanks Paolo,
I'll try that.

But could there be any other way of handling such cases?
I don't have experience in fortran coding.

I appreciate your kind response.
Isaiah

On 6/22/17, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 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
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>


-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria