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 <[email protected]> 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 <[email protected]> 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 >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum > > > > -- > 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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
