[Pw_forum] the unit of Dielectric Tensor in .dynG output file
baroni at sissa.it
Wed Aug 9 18:02:08 CEST 2006
Dear Ong Phuong Vu:
please take a glance at this freshly written wiki article that you
may find interesting. It is not guaranteed to be typo-free, so please
report any mis-typed formulas, or else any other errors that you or
others may find (very soon the Quantum ESPRESSO wiki, which I would
like to advertize, will be freely editable by everybody).
Cheers - Stefano
On Aug 7, 2006, at 9:31 AM, vu ongphuong wrote:
> Dear all users,
> I have 2 questions:
> 1. what is the unit of (electronic) dielectric tensor in .dynG
> output file; for example:
> "Dielectric Tensor:
> 6.197084791261 0.000000000000
> 0.000000000000 6.197084791261
> 0.000000000000 0.000000000000
> 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?
> Thank you very much.
> Ong Phuong Vu
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Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
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