[Pw_forum] adding a force term by hand

[Paolo Giannozzi]

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 calculated). I checked the code but I did
> not find the right place to add it.

look at the variable "extfor"

P.

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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