ABINIT Discussion Forums

Dear Developers and Users,

I wish to compute the response of a silicon surface to a uniform electric field.
Then solve the problem self-consistently by calculating the electric field
resulting from the charge perturbation, let the system respond to that as well,
and so on until convergence. From this, the perturbed charge density will
produce a time dependent and nonuniform electric field.

I followed the 5th lesson of the response-function-1 (RF1) tutorial and, if I
understand properly, the most the code can give me at this regard is the 1st
order perturbed DENsity charge; from this I should compute the resulting
nonuniform E-field and go for self consistent convergence.

My first question is if it is possible to use the ddk strategy beyond the first step.

The second question is: What would it be quicker or easier to implement?
1) To extend the current implementation of ABINIT's respfn to time-dependent and
nonuniform E-fields, or
2) To make a code from scratch that takes as input the ABINIT's output for my
system, either the ground state wave function (WFK), the 1st-order derivative
of wavefunctions (1WF) or the 1st order density charge (DENxx).

Thanks,

Témok
salazar AT physics DOT utoronto DOT ca