mp-690/P4S5/harm

Harmonic properties

../../_images/fig_bandos_pr433.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos400.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo433.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2359.png

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

Summary

../../_images/fig_times669.png

(a) Computation time