dielectric constant

xujroman leit... at matcalc.de
Thu Oct 1 13:26:50 UTC 2009


Dear CP2K Users,

I am a new user of CP2K and I have a question considering the linear
response functions.
Is it possiple to calculate the electronic dielectric function within
a simple random phase approximation ? If yes what do I have to specify
in the Input file.

If the RPA-dielectric function is not accessible, is it possible to
calculate the matrix elemants <psi_i | nabla | ps_j> of the
eigenfunctions psi_i in order to calculate the dielectric function
externaly ?

Thanks in advance for your answers,
Roman


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