20 lines
376 B
Fortran
20 lines
376 B
Fortran
program dump_nto
|
|
implicit none
|
|
integer :: i,j, istate
|
|
|
|
print *, 'Phi_S'
|
|
do i=2,N_states
|
|
print *, i, Phi_S(i)
|
|
enddo
|
|
|
|
do istate=2,N_states
|
|
do j=1,mo_tot_num
|
|
print *, 'MO: ', j, 'State:', istate, 'Eig:', one_body_dm_mo_diff_eigvalues(j,istate)
|
|
do i=1,ao_num
|
|
print *, i, transition_natorb(i,j,istate)
|
|
enddo
|
|
enddo
|
|
enddo
|
|
|
|
end
|