[Wien] negative eps-1 and very large value of eps-2

[Fecher, Gerhard]

But you did not read it completely
==>      runsp -so         # spin-polarized + SO
includes lapw1 -dn, isn't it ?

what are youre values for n and k (see case.refraction)
what happens in the case k > n and what is its meaning ? Why and when does it appear in metals ?
how are the optical constants related to each other ?

How does eps_1 depend on the plasmon frequency w_p 
(verify that approximately eps_1 = 1 - w_p^2 / (w^2 + gamma^2), gamma is the inverse relaxation time), 
when does eps_1 become < 0 ?

By the way, the Kramer Kronig transformation includes an integral over frequencies  from zero to infinity
are your upper energies and energy windows large enough ? Are they the same in all inputs ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Dr. K. C. Bhamu [kcbhamu85 at gmail.com]
Gesendet: Freitag, 27. Oktober 2017 16:32
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] negative eps-1 and very large value of eps-2

I read recent three of Prof. Peter in which is did not advice addjoint_updn_lapw.
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16552.html
He suggested the -up spin steps only.

Anyway, Now I also tried lapw1 -dn but results are same.


Regards
Bhamu