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
