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. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
