mp-632812/KH4F5/harm

Harmonic properties

../../_images/fig_bandos_pr5641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8104.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25440.png

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

Summary

../../_images/fig_times10195.png

(a) Computation time