The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <masayoshi.mikami@gmail.com>]

> is it possible with Abinit to calculate the optical properties (dielectric
> constant) of semiconductor alloy(ABxC1-x).

Some possibilities:
1) Make some supercells for ABxC1-x, and run Response Function calculations.
(Kindly refer to the Tutorials/Tests in abinit tar.gz ball.)

2) VCA (virtual crystal approximation) might be also possible, still it 
depends
on your system. (It will not always work !) The advantage would be that it
demands less computational resources/time than the above supercell
calculations. Still, some checks based on supercell calculation might be
necessary to assure results based on VCA.

Your question is still a bit vague to reply specifically. You might want to
read our Netiquette (http://www.abinit.org/community/netiquette ).

Good luck,
Masayoshi