[Pw_forum] Unit of dielectric constant tensor
Kun Yin
kyin.cn at gmail.com
Mon Sep 22 08:05:58 CEST 2008
Dear PWSCF users,
I am doing the phonon calculation of MgO. Part of the output is
> -------------- Output of PWSCF ph.x -------------------------------------
> Dielectric constant in cartesian axis
>
> ( 3.23010 0.00000 0.00000 )
> ( 0.00000 3.23010 0.00000 )
> ( 0.00000 0.00000 3.23010 )
>
> Effective charges E-U in cartesian axis
>
> atom 1
> ( 2.01867 0.00000 0.00000 )
> ( 0.00000 2.01867 0.00000 )
> ( 0.00000 0.00000 2.01867 )
> atom 2
> ( -2.03905 0.00000 0.00000 )
> ( 0.00000 -2.03905 0.00000 )
> ( 0.00000 0.00000 -2.03905 )
> ---------------------------------------------------------------------------
My question is what are the units of the above physical quantities, the
dielectric constant and effective charge, in PWSCF?
Any help will be appreciated.
Regards,
--
Kun YIN,
Department of Geoengineering and Geoinformatics,
School of Earth Sciences and Engineering,
Nanjing University,
Hankou Road 22,
Geological Lab Building, Office 502,
Nanjing, 210093, P.R. China
Email : kyin.cn at gmail.com
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