[Pw_forum] dipole-dipole contribution in hyperfine calculation

[Jones Tsz-Kai Wan]

Dear GIPAW/PWSCF users,

I'm testing the hyperfine calculation with gipaw via calculating the
HF tensor of a bare C atom (occupation: 3 spin-up and 1 spin-down). I
expect the dipole-diplole interaction should be non-zero (due to the 2
spin-up 2p-orbitals. However, I found that the dipole part is
vanishing.

Regards,

Jones

 ******************************** HFI ********************************


 C    1: g_n =  1.404823                  MHz
 C    1  hfi_dipole       0.000000       0.000000       0.000000
 C    1  hfi_dipole       0.000000       0.000000       0.000000
 C    1  hfi_dipole       0.000000       0.000000       0.000000

 C    1  hfi_dipole       0.000000       0.000000       0.000000

Fermi contact term:        bare     reconstruction      total
                         0.000000     264.230322     264.230322
 **** ZORA ****
                         0.000000     261.557210     261.557210