mp-989615/YWN3/harm

Harmonic properties

../../_images/fig_bandos_pr856.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos758.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo856.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2751.png

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

Summary

../../_images/fig_times1261.png

(a) Computation time