[Pw_forum] Generating k points for the full first brillouin zone

jtmullen at ncsu.edu jtmullen at ncsu.edu
Tue Jul 14 23:21:40 CEST 2009


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




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