Si_ddm_schrodinger.mat
bf8dc7e0698dlammps-icms

Si_ddm_schrodinger.mat
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			material Si metal
			#### two temperature ####################
			heat_capacity constant
			capacity 0.124578126430817 # E / L^3
			end
			electron_heat_capacity constant, no density #power_law
			#capacity 3.53391324615404e-11
			capacity 3.53391324615404e-8 # E / L^3
			end
			heat_flux linear
			conductivity 722.65698 # E / t / L / T
			end
			electron_heat_flux linear
			conductivity 0.0441362750535 # E / t / L / T
			end
			electron_phonon_exchange linear
			coefficient 6.0221415e-09 # E / t / T
			end
			#### drift diffusion #####################
			electron_flux linear
			mobility 360000.0 # L^2/t/V
			diffusivity 14000000.0 # L^2/t
			end
			electron_recombination linear
			# inv_relaxation_time 0.0 # 1/t HACK
			# equilibrium_carrier_density 1.0 # e/L^3 HACK
			end
			electric_field linear
			permittivity 11.68 # e/V/L http://en.wikipedia.org/wiki/Relative_permittivity
			end
			effective_mass constant
			inv_effective_mass 1.0 # 0.13123421851033382246725208450724 # unit-less
			end
			electron_density fermi_dirac
			fermi_energy 0.5 # HACK
			band_edge 0.0 # -1.0
			# reference_temperature 0.0 # HACK
			donor_concentration 0.0001 # HACK
			# donor_ionization_energy 0.1 # relative to band edge HACK
			end
			end