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Linear-response theory provides an efficient approach for calculating the vibrational properties of solids. Moreover, because the use of supercells is eliminated, points with little or no symmetry in the Brillouin zone can be handled. This allows accurate determinations of quantities such as real-space force constants and electron-phonon coupling parameters. We present highly converged calculations of the spectral function α 2  F (ω) and the average electron-phonon coupling for Al, Pb, and Li. We also present results for the free energy of vacancy formation in Al calculated within the harmonic approximation.

Linear-Response Calculations of Electron-Phonon Coupling Parameters and Free Energies of Defects