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Re: [abinit-forum] Dielectric function


Chronological Thread 
  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Dielectric function
  • Date: Sat, 05 Jul 2003 20:42:59 +0200

lvying wrote:
> Hi:
> Can we perform the frequency-dependant-dielectric-function calculation
> with current verson of abinit?
> Thanks!
>
>
For Infra-red frequencies (namely, IR active phonons),
ANADDB will do the job.

But, if you are looking
for optical or UV frequencies, you should use
"conducti" . See Test_v3# 78 and 79 . This
utility might be improved . It gives the
frequency-dependent optical conductivity
in the independent-particle RPA approximation
(the simplest approximation, so not always reliable)
This optical conductivity is directly related
to the dielectric function.

Good continuation,
Xavier



  • Dielectric function, lvying, 07/04/2003
    • Re: [abinit-forum] Dielectric function, Xavier Gonze, 07/05/2003

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