[Wien] questions about Wien2k

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Tue Nov 8 15:08:17 CET 2016


I want to add one more query and want to explore part of question 2

For example,
1.  In a case of the optical properties for a system where we have a,b and
c different. In such case we define xx, yy and zz in case.inop and get
three components in the case.epcilon file. Does it simply mean that such
materials are anisotropic along three directions?
2. Is the average value at zero energy of a real part of dielectric
constant is static dielectric constant? if not then how we can get from the
output file of the case?


regards
Bhamu

On Tue, Nov 8, 2016 at 5:20 AM, Brik Hamida <hmd.brik at gmail.com> wrote:

> Dear
>
>
> Im using Wien2k code and I have some questions
>
> 1) Wien2k code is based on DFT which consideres only the ground state but
> in the same time the code calculates the absorption spectrum. is this
> spectrum has a physical sense ? it is correct ?
>
>
> 2) the dielectric functions  are calculated versus energy. What means this
> energy ? is it the excitation energy ? and what means the static dielectric
> constant
>
>
>
> Thanks for your reply
>
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