mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 06:14:43 +01:00
27 lines
470 B
Fortran
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
|
|
|
|
|