[QE-users] [SPAM] How to calculate dielectric constant \epsilon_0 using Quantum Espresso

[a.n.filanovich at yandex.ru]

Dear Quantum Espresso community!

 

I've found in the mailing list archive that "the dielectric constant
computed by ph.x 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." As my aim is
to calculate \epsilon_0, do I understand correctly that if I run a ph.x
calculation with epsil=.true and trans=.false, the output will contain
epsilon_\infty and if I run with epsil=.true and trans=.true,  the output
will contain \epsilon_0? 

 

Best regards,

Anton Filanovich,

Ural Federal University.

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