  mDCThermalC is a program written in Python for computing lattice thermal
conductivity of crystalline bulk materials using the modified Debye-Callaway
model. Building upon the traditional Debye-Callaway theory, the modified model
obtains the lattice thermal conductivity by averaging the contributions from
acoustic and optical branches based on their specific heat. The only inputs of
this program are the phonon spectrum, phonon velocity and Gruneisen parameter,
all of which can be calculated using third-party ab initio packages, making the
method fully parameter-free. This leads to a fast and accurate evaluation and
enables high-throughput calculations of lattice thermal conductivity even in
large and complex systems. In addition, this program calculates the specific
heat and phonon relaxation times for different scattering processes, which will
be beneficial for understanding the phonon transfer behavior.
