mp-707961/KB3H6O8/harm

Harmonic properties

../../_images/fig_bandos_pr4279.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5970.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4279.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24092.png

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

Summary

../../_images/fig_times7607.png

(a) Computation time