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Could you clarify your question? For the moment it appears difficult
to answer. <br>
I can simply mention that these data are in the following files: <br>
<br>
- case.epsilon<br>
- case.refraction<br>
- case.reflectivity<br>
...<br>
<br>
Now, if your request is to have a method allowing to obtain the
EXACT values ...<br>
Then it is another problem, because you should know that DFT is a
ground state properties theory.<br>
We can estimate these "excited states" quantities from DFT using
some tricks (scissors operator ...), or by applying corrections to
the functional (hybrid functionals, LDA+U ...).<br>
However, it will remain an estimation, which will be more or less
accurate. Only the comparison with experimental data (from
ellipsometry, EELS, ...) will allow to say if the modelling of the
optical properties is accurate for a given compound. <br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
On 04/21/2012 05:06 AM, qwef fwefwe wrote:
<blockquote
cite="mid:1334977598.98131.YahooMailNeo@web161606.mail.bf1.yahoo.com"
type="cite">
<div style="color: rgb(0, 0, 0); background-color: rgb(255, 255,
255); font-family: times new roman,new york,times,serif;
font-size: 12pt;">
<div>Dear All Respected users</div>
<div><br>
</div>
<div>kindly guide me how to see exact values of refractive
index, extinction coefficient,optical
conductivity,Reflectivity and absorbtivity ? <br>
</div>
<div><br>
</div>
<div>Thank you all <br>
</div>
</div>
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