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 <[email protected]> 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 > > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > [email protected]/index.html > >
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