[Octopus-users] is "hs_from_mult" working ?

[Nam A. Nguyen]

Hi users,

I'd like to calculate the harmonic spectrum from the multipoles file. I 
have looked at the codes, but the following lines in the 
"spectrum_hs_from_mult" subroutine are causing me some headache:
-----------------------------
 ! load dipole from file
  allocate(dipole(0:time_steps))
  allocate(d(3, nspin))
  do i = 1, time_steps
    read(iunit, *) j, dump, dump, dump, d
    select case(sh%pol)
    case('x')
      dipole(i) = -sum(d(3, :))
    case('y')
      dipole(i) = -sum(d(1, :))
    case('z')
      dipole(i) = sum(d(2, :))
    case('+')
      dipole(i) = -sum(d(3, :) + M_zI*d(1, :)) / sqrt(M_TWO)
    case('-')
      dipole(i) = -sum(d(3, :) - M_zI*d(1, :)) / sqrt(M_TWO)
    end select
    dipole(i) = dipole(i) * units_out%length%factor * 
sqrt(M_FOUR*M_PI/M_THREE)
  end do
  deallocate(d)
------------------------------------------------

octopus is supposed to load the DIPOLE moments from file. However, with 
this line:

read(iunit, *) j, dump, dump, dump, d

I have the impression that it is loading the higher order multipoles.

Please advise

Regards
Nam