This is a collection of routines which compute transport coefficients (Conductivity and Seebeck) using Boltzmann transport theory. -------------------------------------------------------------------------- Description of main programs: * ef: Computation of Fermi Level for an insulating system with a given doping level. * dos: Computation of density of states using an adaptive smearing method. Captures Van-Hove singularities better compared to constant smearing. * fermi_int_0: Computation of transport coefficients using constant scattering rate and for a range of chemical potentials. * fermi_int_1: Computation of transport coefficients using constant scattering rate for a given Fermi Energy. Uses a grid reduction algorithm (reducegrid.f90) to speed up the transport integrals. -------------------------------------------------------------------------- Capabilities and things to do: * The code uses finite differences to compute band velocities. For systems with a fairly simple band structure, this poses no issue. For more complicated with structures with lots of band crossings, finite differences would fail. For such systems, use of packages like BoltzTrap and Boltzwann are recommended. * The code is not tested for spin-polarized systems and with k-point grids that are not Gamma centered. It works for noncollinear non-spin-polarized band structures. * The code will be extended to include calculation of transport integrals using model scattering rates.