10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-24 13:23:41 +01:00
quantum_package/plugins/analyze_wf/dump_nto.irp.f

20 lines
376 B
Fortran
Raw Normal View History

2017-09-13 16:50:45 +02:00
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