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Dear Takeshi,

For the nband issue in the optical spectra calculation, it depends on the
energy region you interest, say (0, E) eV. Then, according to the viewpoint of
Joint Density of States (JDOS), you should increase nband large enough to
include the conduction bands that are E eV above the Fermi level.

Best wishes
Guangfu Luo



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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