[Pw_forum] dielectric constant

William Parker wparker at anl.gov
Thu Jul 9 22:39:46 CEST 2015


Hi Sam,

If I'm reading PHonon/PH/dielec.f90 correctly, the 4*pi is there (see lines 50 and 61 in v5.2.0).

--William

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  William D. Parker              phone: +1 (630) 252-3388
  Argonne Scholar
  Argonne Leadership Computing Facility
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On Jul 9, 2015, at 3:09 PM, "Azadi, Sam" <azadi at uni-mainz.de>
 wrote:

> Hi experts, 
> 
> Wondering whether “4*pi” term is included in dielectric constant results 
> given by epsil=.true. in phonon calculations. 
> 
> Yours, 
> Sam
> 
> 
> ********************************************
> S. Azadi
> Institute of Physical Chemistry and 
> Center of Computational Science 
> Johannes Gutenberg University Mainz
> Staudinger Weg 9
> D-55128 Mainz, Germnay
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> 
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