Fortran code to calculate electronic structure and light absorption for a given geometrical configuration.

Files:

eqdavidson.f : Computes the equilibrium electron density by solving the Kohn-Sham equations of the system. We start with a plane-wave approximation and iterate until convergence. Atomic potentials are set in the jellium approximation. The output of this program, namely, the equilibrium electron density and the self-consistent potential of the system, are plotted by the matlab file equilibrium.m.

testrpa.f : Uses the output of eqdavidson.f to calculate the absorption of the system in the Random Phase Approximation. It calls the subroutines: chartree.f, chi0.f, green.f, solverpa.f .

Subroutines:

solverpa.f : Subroutine called by testrpa.f, calculates absorption in the Random Phase Approximation.

chi0.f : Subroutine called by testrpa.f and by solverpa.f, calculates chi0.

chartree.f : Subroutine called by solverpa.f to calculate the Hartree potential.

green.f : Subroutine called by chi0.f to calculate the Green's function.