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://pwscf.org/pipermail/pw_forum/attachments/20130208/04224919/attachment.html
