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[abinit-forum] imaginary part of linear optical response

From: Celin Lambert <celinl1981@yahoo.com>
To: forum@abinit.org
Subject: [abinit-forum] imaginary part of linear optical response
Date: Wed, 28 Jan 2009 05:18:50 -0800 (PST)
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Dear all,

I want to calculate the imaginary part of dielectric function for GaN bulk. I have relaxed the structure by k-point 6x6x4.

For the optical lesson, I want to use 16x16x16 k-point mesh as the starting point. But can I put the relaxed results which I have previously calculated, or once again I should go through optimization with 16x16x16?

Please also guide me about the number of bands (nband), how you usually consider increasing the nband to have imaginary part of dielectric function.

Thanks in advance.
Celine

[abinit-forum] imaginary part of linear optical response, Celin Lambert, 01/28/2009