Nobody seriously checked this case so far, and you have to consider this option still very experimental.
Andrea On Fri, 2013-02-08 at 20:54 +0900, H. Lee wrote: > 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? > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it
