qs_scf_wfn_mix.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_scf_wfn_mix
	Does all kind of post scf calculations for GPW/GAPW.

Functions/Subroutines
subroutine, public	qs_scf_wfn_mix::wfn_mix (mos, particle_set, dft_section, qs_kind_set, para_env, output_unit, unoccupied_orbs, scf_env, matrix_s, marked_states, for_rtp)
	writes a new 'mixed' set of mos to restart file, without touching the current MOs More...