·Rl eα k q jρ Q q jρ (1) where Q q jρ = Q0 q jρ e±iω(q|j)t is the amplitude of the j-th phonon mode, ρ is the index of degeneration,eα k q jρ is the element of the eigenvector of the dynamical matrix, α denotes the Cartesian index, q is wave vector...
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivati