[Pw_forum] the unit of Dielectric Tensor in .dynG output file

[Stefano Baroni]

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).

http://www.quantum-espresso.org/wiki/index.php/Dielectric_constant

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
>           0.000000000000          6.197084791261           
> 0.000000000000
>           0.000000000000          0.000000000000           
> 5.774979436500"
>
> 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 -  
Trieste
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