================================= Calculating correlation functions ================================= Now that we have created a Sample, and defined the simulation configuration parameters, we are ready to perform an actual calculation by calling the fortran subroutines. The resulting correlation functions are automatically written to files in the ``sim_data`` folder. The correlation functions are also returned to Python:: # DOS correlation, fortran call corr_DOS = tipsi.corr_DOS(sample, config) # AC conductivity correlation, fortran call corr_AC = tipsi.corr_AC(sample, config) In the current version, the following physical quantities can be calculated: - DOS - quasi-eigenstates - DC conductivity - AC conductivity - dynamical polarization - dielectric function DOS ---- .. autofunction:: tipsi.correlation.corr_DOS AC conductivity --------------- .. autofunction:: tipsi.correlation.corr_AC DC conductivity --------------- .. autofunction:: tipsi.correlation.corr_DC Dynamical polarization ---------------------- .. autofunction:: tipsi.correlation.corr_dyn_pol Quasi-eigenstates ----------------- .. autofunction:: tipsi.correlation.quasi_eigenstates