mp-642810/HOF/harm

Harmonic properties

../../_images/fig_bandos_pr5443.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7848.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5443.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25248.png

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

Summary

../../_images/fig_times9859.png

(a) Computation time