mp-738684/K5YH8C8O16/harm

Harmonic properties

../../_images/fig_bandos_pr4114.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5557.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4114.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23927.png

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

Summary

../../_images/fig_times7174.png

(a) Computation time