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) P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
