Dear Sir, Thank you very much for your kind reply. On Tue, Aug 11, 2015 at 3:47 PM, stefano de gironcoli <[email protected]> wrote:
> the dielectric constant computed by phonon is the static (high-frequency) > dielectric constant of the system (also referred as \epsilon_\infty in the > literature). One need to combine it with phonon results in order to compute > \epsilon_0, the real static dielectric constant including also ionic > polarization. It is a GS property and its computation is exact (as much or > as little as your xc functional is :-) ). > > As for epsilon... the code says > ! Compute the complex macroscopic dielectric function, > ! at the RPA level, neglecting local field effects. > ! Eps is computed both on the real or immaginary axis > ! > so RPA (i.e. no xc contributions to the response), no local fields (i.e. > only diagonal screening) but frequency dependence > > computed from an explicit summation of dipole matrix elements and > transition energies. > > stefano > > On 11/08/2015 11:24, Khalid Ibne Masood Khalid wrote: > > Dear Researchers, > I apologize that this might not be related to the code, but it would be > very kind of you to help me in this regard. I was wondering what is the > difference between the dielectric constant calculated from epsilon.x and > the dielectric constant calculated from ph.x ? Is it like that epsilon.x > calculates the dielectric constant due to electrons alone? I would also > appreciate if you could suggest some basic references regarding epsilon.x > > Thank you. > > Khalid > M.Sc student > BUET > > > _______________________________________________ > Pw_forum mailing > [email protected]http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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