mp-137-2/Ge/harm

Harmonic properties

../../_images/fig_bandos_pr318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos319.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2264.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times520.png

(a) Computation time