mp-720379/K3NaP4H4O14/harm

Harmonic properties

../../_images/fig_bandos_pr4295.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6021.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4295.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24108.png

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

Summary

../../_images/fig_times7658.png

(a) Computation time