mp-703376/UP3H7O8/harm

Harmonic properties

../../_images/fig_bandos_pr4423.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6177.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4423.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24236.png

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

Summary

../../_images/fig_times7864.png

(a) Computation time