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qmc-lttc/plot_hydrogen.f90
2021-01-03 18:45:58 +01:00

29 lines
508 B
Fortran

program plot
implicit none
double precision, external :: e_loc
double precision :: x(50), energy, dx, r(3), a(6)
integer :: i, j
a = (/ 0.1d0, 0.2d0, 0.5d0, 1.d0, 1.5d0, 2.d0 /)
dx = 10.d0/(size(x)-1)
do i=1,size(x)
x(i) = -5.d0 + (i-1)*dx
end do
r(:) = 0.d0
do j=1,size(a)
print *, '# a=', a(j)
do i=1,size(x)
r(1) = x(i)
energy = e_loc( a(j), r )
print *, x(i), energy
end do
print *, ''
print *, ''
end do
end program plot