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[abinit-forum] Question on linear optic properties

From: "tokoyama takeshi" <tokoyama.takeshi@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] Question on linear optic properties
Date: Sun, 28 Dec 2008 19:12:20 +0330
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Hello everyone,

Happy 2009 ^_^

I have always followed the complete tutorial of abinit to calculate different parameters for my systems GaN. Now I want to follow toptic_3.in.

1. In the usual rf calculations I have used 8x8x4 grid of k-points, I want to know how much I should increase the number of k-points and what is the reason?
2. Shall I go for optimization for the new k-point grid as well? otherwise what should I put for the lattice parameters?
3. regarding the nband, I usually use nband 20 for the system, then for the optical calculations what parameters I should consider inorder to make sure that the increament is logical.

I hope I can have my answer soon.

Best wishes for the new year.
Takeshi

[abinit-forum] Question on linear optic properties, tokoyama takeshi, 12/28/2008