program test_3d implicit none integer :: i,npt double precision :: dx,domain,x_min,x,step_function_becke domain = 5.d0 npt = 100 dx = domain/dble(npt) x_min = -0.5d0 * domain x = x_min do i = 1, npt write(33,*)x,step_function_becke(x) x += dx enddo end