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  • Gregor Michalicek's avatar
    Bugfix: Made Broyden mixing of the density matrix work again · af9f7033
    Gregor Michalicek authored
    The Broyden mixing for the density matrix was broken because
    in the routine main/mix.F90 one of the two calls to brysh1 was wrong.
    In both calls the old density matrix was passed to brysh1, but in
    one of the calls this should be the new density matrix. This is
    corrected now.
mix.F90 16.6 KB