Paolo Giannozzi wrote: > On Jul 14, 2009, at 23:21 , jtmullen at ncsu.edu wrote: > >> 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) > > and in the complete BZ if you answer "t" to the question "write all k"
I think this applies for the kpoints.x program in pwtools/, not to the kpoint_grid subroutine. Anyway I agree that kpoints.x can be used exactly for this purpose (answering 't', of course). GS > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
