[Pw_forum] low frequency dielectric constant

Paolo Giannozzi giannozz at democritos.it
Tue Feb 7 12:15:29 CET 2012

On Sun, 2012-02-05 at 01:16 -0500, Vivek Ranjan wrote:

> Wonder if it is already coded in PWSCF to calculate: 
> frequency dependent dielctric constant (low frequency dynamical ones)
> static dielectric constant
> mode effective charges

not directly, but everything should be easily calculated from
calculated  quantities (dielectric tensor \espilon_\infty, 
dynamical matrix, atomic effective charges)


Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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