[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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