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quantum_package/plugins/Bk/bk.irp.f
2018-03-05 17:04:26 +01:00

27 lines
470 B
Fortran

program bk
implicit none
BEGIN_DOC
! Shifted-Bk method
END_DOC
read_wf = .True.
state_following = .True.
TOUCH read_wf state_following
call run()
end
subroutine run
implicit none
call diagonalize_ci_dressed
integer :: istate
print *, 'Bk Energy'
print *, '---------'
print *, ''
do istate = 1,N_states
print *, istate, CI_energy_dressed(istate)
enddo
! call save_wavefunction
call ezfio_set_bk_energy(ci_energy_dressed(1))
end