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Re: [abinit-forum] Optical properties calculation


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  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Optical properties calculation
  • Date: Sat, 13 Mar 2004 20:58:01 +0100

Wu Rongqin wrote:
> Dear all,
>
> Can anyone tell me how to do optical properties calculation using ABINIT?
> Are there any examples ?

1) TDDFT is available for optical properties of
finite-size systems (typically, molecules and clusters),
see iscf=-1 , and explore the input files for automatic
tests.

2) the post-processor "conducti" is also available.
See ~/Infos/conducti_manual.tex in version 4.3.2 .
You might also get in touch with V. Recoules
vanina.recoules@cea.fr ,
and P. Ghosh prasenjit@jncasr.ac.in .

Excitons through Bethe-Salpeter equation are not
available.

Good continuation,
Xavier Gonze




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