Dears:
There has optical properties module in the siesta manual,i doubt whether
it can calculate the material's dielectric constant and how?In the manual,it
says ,optical calculation can obtained the imaginary part of the dielectric
function,so i want to know how to write the fdf file.Further more,it can also
use some comands to get the energy about the material,then ,how to combine the
energy with frequency and analyse? I'm eagering to get the examples in
detail,thanks very much!
Best wishes!
At 2010-08-19 20:37:46，"Marcos Veríssimo Alves"
<[email protected]> wrote:
Are you in doubt about the flags to use, or is it something more "conceptual"?
In the former case, the flags are all listed in the manual.
Marcos
2010/8/19 water20064335<[email protected]>
Deras:
I just want to known how to use the optical module in siesta? And whether
the siesta can calculate the material's dielectric constant and how?
您想拥有和网易免费邮箱一样强大的软件吗？
