[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
Building 240, Office 1-D.16
Argonne National Laboratory
9700 S. Cass Ave.
Argonne, IL 60439
U.S.A.
*********************************************************
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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