program dump_one_body_mos implicit none BEGIN_DOC ! Output density matrices of all the states END_DOC read_wf = .True. TOUCH read_wf call run() end subroutine run implicit none integer :: istate integer, parameter :: iunit = 66 character*(64) :: filename, fmt integer :: i,j,k write(fmt,'(''('',I4.4,''(X,E20.14))'')') mo_tot_num do istate=1,N_states write(filename,'(''state.'',I2.2)') istate open(unit=iunit, form='formatted', file=filename) write(iunit,*) mo_tot_num do j=1,mo_tot_num write(iunit,fmt) one_body_dm_mo_alpha(1:mo_tot_num,j,istate) + one_body_dm_mo_beta(1:mo_tot_num,j,istate) enddo enddo call run2() end subroutine run2 integer :: i,j, istate print *, 'Phi_S' do i=2,N_states print *, i, Phi_S(i) enddo end