quantum-espresso/GWW/examples/example04

To run the example do:

./run_example

Computes the optical properties of bulk silver at the independent particle level with the optimal basis method


Output files produced by simple_ip.x:

ag.dos_broadening.dat      -->    Density of states
ag.jdos.dat                -->    Joint density of states
ag.eps_inter_im.dat        -->    Imaginary part of the interband contribution to the dielectric function computed along x, y and z
ag.eps_inter_re.dat        -->    Real part of the interband contribution to the dielectric function computed along x, y and z
ag.eps_tot_im.dat          -->    Imaginary part of the full dielectric function (interband+intraband) computed along x, y and z
ag.eps_tot_re.dat          -->    Real part of the full dielectric function (interband+intraband) computed along x, y and z
ag.eels.dat                -->    Electron energy loss spectrum computed along x, y and z 
ag.optical_constants.dat   -->    Real and imaginary part of the full dielectric function, refractive index, extinction coefficient, reflectivity
                                  (averaged over the three directions x, y and z)