giannozz at democritos.it
Thu Apr 28 18:37:56 CEST 2011
On Apr 28, 2011, at 13:04 , S. K. S. wrote:
> What QE calculates is the dielectric tensor at clamped ions
> (often referred to as \epsilon_\infty). The ionic contribution
> must be calculated and added to this in order to obtain the
> static dielectric tensor (\epsilon_0). Does the most recent
> version of QE print "\epsilon_0" somewhere in the output file ?
not that I know. Writing a piece of code that does the calculation
could be a good exercise for a student. Also for a professor.
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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