mp-555760/S/harm

Harmonic properties

../../_images/fig_bandos_pr8666.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12177.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8666.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28427.png

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

Summary

../../_images/fig_times15189.png

(a) Computation time