[Pw_forum] Format of charge-density.dat

Paolo Giannozzi giannozz at democritos.it
Fri Feb 13 14:55:06 CET 2009


Paul M. Grant wrote:

> BTW, I never could figure out or get answered what plot_num=3 was doing

it calculates f(r) = \sum_i |\psi_i(r)|^2 \delta(\epsilon_i-E_F)
I think. No idea who is using it for what purpose, though.

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


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