program print_density_on_grid implicit none BEGIN_DOC ! Print sum of alpha and beta electron density on the x axis END_DOC double precision :: r(3) ! Array for spatial coordinates 'r(x, y, z)' (a.u.) double precision :: dm_a(N_states), dm_b(N_states) ! densities at r double precision :: n_at_r double precision :: xlength, dx integer :: nx, ipoint r(1) = nucl_coord(1,1) r(2) = nucl_coord(1,2) r(3) = nucl_coord(1,3) nx = 500 xlength = 7.d0 dx = xlength/dble(nx) r(1)+=-xlength*0.5d0 do ipoint=0, nx call dm_dft_alpha_beta_at_r(r, dm_a, dm_b) n_at_r= dm_a(1) + dm_b(1) print *, r(1), n_at_r r(1)+=dx enddo end