The ABINIT Users Mailing List ( CLOSED )

[<yongliu.yl@gmail.com>]

Dear abinitors,

I have computed linear dielectric tensors of Al using modified topic_3.in as
input file. But the theoretical curves are totally different from the
experimental curves even I increase k-mesh up to 36*36*36. But the plasma
frequence, theoretical value equal to 15.4 eV, has a pretty agreement with the
experimental value. So I want to know
1. Is ABINIT really suitable to generate the optical spectra of metals?
2. Doesthe divergence between my theoretical  and the experimental results
comes from the pesudopential or intraband contribution?
3. How does ABINIT take care of intraband contribution? Should we add a Drude
term to compensate the intraband transition?
4. DDK is necessary to compute linear optical response? 
5. How to use GW to compute optical spectra in ABINIT?
Thanks a lot in advance.
PS. I don't know how to add attachments in mail list. I can send my input,
output, comparsion between theoretial and experimental data to your email
address directly if you want.

Sincerely,
Yong