| Dear Nidhi, Systemlabel.EPSIMG generated by SIESTA, contains the imaginary part of the dielectric function in the energy range specified in the input file of SIESTA. the program The programs contained in the directory (siesta-2.0/Util/Optical) calculate different optical properties of a solid out of the file. There are two small programs: input.f and optical.f Both can be compile independently: f77( f95, f90,....) input.f -o inpu f77( f95, f90,....) optical.f -o optical * The first program creates the input file for optical (e2.dat), containing the imaginary part of the dielectric function, from the file Systemlabel.EPSIMG * The second reads a file called 'e2.dat' containing the imaginary part of the dieletric function, and creates the files : 'epsilon_real.out' containing the real part of the dielectric function 'epsilon_img.out' containing the imaginary part of the dielectric function 'refrac_index.out' containing the refraction index 'absorp_index.out' containing the extintion coefficient 'absorp_coef.out' containing the absorption coefficient in cm**-1 'reflectance.out' containing the reflectance 'conductivity.out' containing the optical conductivity in (ohm*m)**-1 To do so, you just need to type: ./ input < Systemlabel.EPSIMG ./optical <e2.dat Karim |
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