[Pw_forum] Berry phase electric field calculations with empty bands

Paolo Giannozzi giannozz at democritos.it
Tue Nov 1 21:16:44 CET 2011

On Nov 1, 2011, at 16:43 , Alexander Urban wrote:

> If this reasoning is correct, I would take a closer look at
> `c_phase_field()' and estimate the effort to introduce the changes.

it might actually be sufficient, as a quick-and-dirty fix, to replace
the line
                      l_cal= (nb <= nelec/2) .and. (mb <= nelec/2)

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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