mp-759030-2/KSmH4N4O14/harm

Harmonic properties

../../_images/fig_bandos_pr3027.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3881.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3027.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22847.png

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

Summary

../../_images/fig_times5183.png

(a) Computation time