Hi Jeff, Wannier90 (which comes with QE) comes with a utility that does it, I believe.
Lex Kemper Department of Physics University of Florida jtmullen at ncsu.edu wrote: > Greetings all, > > I have a need to generate k points which cover the complete first BZ, not > just the irreducible BZ. I notice a subroutine in PW/kpoint_grid.f90 which > returns k points in the IBZ given grid dimensions (nk1, nk2, nk3), but > before I set about modifying this routine or writing my own, I thought it > prudent to find if a routine to generate k points in the entire BZ (given > the same grid dimensions) already exists in the codebase. If it does, can > someone let me know the proper subroutine? > > Thanks > Jeff Mullen > NCSU Physics > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
