[Pw_forum] Calculation of the dielectric tensor for PAW+Spin-Orbit (non-magnetic)

[H. Lee]

I have calculated the dielectric tensor using ph.x for the case of PAW
pseudopotential with spin-orbit interaction (non-magnetic) and obtained the
results.

After calculation, I have found the comments in the header of phonon.f90
file as follows:

  ! ... Presently implemented:


...

  ! ... dielectric constant       NC [5], US [5], PAW [3]


  ! ... born effective charges    NC [5], US [5], PAW [3]


...

  !


  ! NC = norm conserving pseudopotentials


  ! US = ultrasoft pseudopotentials


  ! PAW = projector augmented-wave


  ! [1] LDA,


  ! [2] [1] + GGA,


  ! [3] [2] + LSDA/sGGA,


  ! [4] [3] + Spin-orbit/nonmagnetic,


  ! [5] [4] + Spin-orbit/magnetic (experimental when available)

Do they mean that my results for dielectric tensor and born effective
charges are not meaningful?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130208/04224919/attachment.html>