[Pw_forum] the unit of Dielectric Tensor in .dynG output file
Paolo Giannozzi
giannozz at nest.sns.it
Wed Aug 9 10:34:02 CEST 2006
On Monday 07 August 2006 09:31, vu ongphuong wrote:
> 1. what is the unit of (electronic) dielectric tensor
"unit"? dielectric tensor is adimensional
> 2. As I know, in the .dynG file masses are in atomic rydberg units
> (mass of one electron = 0.5); eigendisplacements are in units of
> masses^(-1/2). If so, I want to calculate the phonon contribution
> dielectric constant; which units of phonon frequencies (omega)
> I should chose?
with the Lyddane-Sachs-Teller formula? it doesn't matter,
the frequency enters as ratio of LO and TO frequencies
--
Paolo Giannozzi Phone: +39/050-509876
DEMOCRITOS and SNS Fax: +39/050-563513
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