Catrina, Since you specify the strength of the electric field, it cannot be by DFPT, which is linear response to an infinitesimal perturbation. An external electric field is applied (in non-"bulk" directions) by adding a term V(r)=E.r to the Hamiltonian.
David On Sun, Jan 11, 2009 at 3:22 AM, catrina desport <catrinadesp...@yahoo.com> wrote: > Hi, > > I want to know that by applying the electric field in siesta, we are > calculating the response of the system to electric field perturbation > through DFPT? > > Please let me know what theory does siesta follw in appying the external > electric field. > > regards, > Catrina > >
