[Pw_forum] bug in mm_dispersion.f90

[Paolo Giannozzi]

On Sep 29, 2009, at 20:49 , Javier Fuhr wrote:

> An additional doubt: although I am not using the value given by
> "Harris-Foulkes estimate", when converged,  shouldn't it be the
> same than "total energy"?

it should, if all terms are there! apparently in some cases there
are missing terms in the Harris-Foulkes energy. Thank you for
noticing this as well

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