mp-557376/S/harm

Harmonic properties

../../_images/fig_bandos_pr8426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11836.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28188.png

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

Summary

../../_images/fig_times14787.png

(a) Computation time