mp-24064-2/PHF2/harm

Harmonic properties

../../_images/fig_bandos_pr12615.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16984.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12615.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212313.png

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

Summary

../../_images/fig_times21437.png

(a) Computation time