Dear Sikander Azam,
there seems to be agreement that DFT calculates the ground state, and
that this state is occupied at T=0 K. So there are two cases:
1) If comparison with your experiment works at some finite temperature
it stands to reason that the probability of observing the ground stat
Dear all
I need the answer for the following question
I am using the Wien2k code to calculate the imaginary part of the complex
dielectric function has certain limitations: the local field effects are
neglected, phonon contributions to the optical spectra band gap and
excitonic effects are not ta
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