Dear Paolo,
Thanks for your replay.
On Wed, Nov 26, 2014 at 11:59 AM, Paolo Giannozzi
wrote:
> On Tue, 2014-11-25 at 08:51 -0500, Nossa, Javier wrote:
>
> > I want to do a full optimization adding (by hand) the following term
> > eEZ*, into the force subroutine. Here e is the electron charge, E
On Tue, 2014-11-25 at 08:51 -0500, Nossa, Javier wrote:
> I want to do a full optimization adding (by hand) the following term
> eEZ*, into the force subroutine. Here e is the electron charge, E is
> an external electric field (only in one direction) and Z* is the
> effective charge (already calcu
Dear Users and developers,
I want to do a full optimization adding (by hand) the following term eEZ*,
into the force subroutine. Here e is the electron charge, E is an external
electric field (only in one direction) and Z* is the effective charge
(already calculated). I checked the code but I did