Could you clarify your question? For the moment it appears difficult to answer. I can simply mention that these data are in the following files:
- case.epsilon - case.refraction - case.reflectivity ... Now, if your request is to have a method allowing to obtain the EXACT values ... Then it is another problem, because you should know that DFT is a ground state properties theory. 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 ...). 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. Best Regards Xavier On 04/21/2012 05:06 AM, qwef fwefwe wrote: > Dear All Respected users > > kindly guide me how to see exact values of refractive index, > extinction coefficient,optical conductivity,Reflectivity and > absorbtivity ? > > Thank you all > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120421/bfa09e55/attachment.htm>