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- From: Konstantin Rushchanskii <Konstantin.Rushchanskii@physik.uni-regensburg.de>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Dielectric Function Calculation with optic code
- Date: Fri, 24 Jun 2005 12:27:54 +0200
Dear Bohdan,
>
> I had right the same problem with another crystal: the calculated
> magnitudes of epsilon' (0 eV) obtained by 'optic' and 'anaddb' were
> very different. Unfortunately, I had no obtained an answer on similar
> question. The value of epsilon' (0 eV) obtained with 'anaddb' seem to
> be right.
May be the answer is, that anaddb takes into account also the phonon
degrees of freedom (and corresponding part of esilon (0eV)), and
utilizing the optic utility you have only electronic contribution to
espilon (0eV)?
Sincerely,
K.Rushchanskii
- Dielectric Function Calculation with optic code, sevik, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Bohdan Andriyevsky, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Konstantin Rushchanskii, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Bohdan Andriyevsky, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Xavier Gonze, 06/25/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Bohdan Andriyevsky, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Konstantin Rushchanskii, 06/24/2005
- Re: [abinit-forum] Dielectric Function Calculation with optic code, Bohdan Andriyevsky, 06/24/2005
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