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["Bohdan Andriyevsky" <bandri@tu.koszalin.pl>]

Hi Conor,
Thank you very much for your reply on my question.
In this reply you mentioned that you use another code for the calculating of
optical spectra. Maybe you use the 'optic' of ABINIT? If yes, then I would
like to ask you to help me to resolve my problem. I still can't obtain
resonable magnitude of dielectric permittivity (epsilon') at E=0 for my
crystal and even for Si and NaCl using 'optic' and 'conducti'. When I tried
to use modified file t56.in (Test_v4) for GaAs to Si and NaCl crystals (see
input file for Si in attachment) I obtained too small epsilon' at E=0 (for
Si epsilon'=1.03, for NaCl epsilon'=1.6). What could you advise me in the
connection of this problem?
Thank you very much in advance for your reply.

Regards,
Bohdan


----- Original Message -----
From: "Conor Hogan" <Conor.Hogan@roma2.infn.it>
To: "Bohdan Andriyevsky" <bandri@tu.koszalin.pl>
Sent: Tuesday, April 05, 2005 4:41 PM
Subject: Re: [abinit-forum] So small conductivity


> Hi Bohdan,
> Just in case you aren't aware: to calculate E1(w=0) using E2+ Kramers
> Kronig, you need a very good calculation of E2, to quite high energy. If
> all else is correct, this might be the source of the discrepancy
> with the directly calculated value...but if
> you are sure of your numerical convergence (bands, energy, etc), then I
> have no idea what is wrong (I havent used conducti, I use another code).
> Apologies if this is obvious to you!
> All the best
> Conor
>
> ----
>
> Dr. Conor Hogan
> Dipartimento di Fisica e INFM
> Universita' di Roma "Tor Vergata"
> Tel: +39 06 72594548
> Fax: +39 06 2023507
>
> What is it that makes a complete stranger dive into an icy river to save a
> solid gold baby? Maybe we'll never know.  - Jack Handey
>
> To me, it's always a good idea to always carry two sacks of something when
> you walk around. That way, if anybody says, "Hey, can you give me a
> hand?," you can say, "Sorry, got these sacks." - Jack Handey
>

Attachment: test_Si.in
Description: Binary data