mp-554239/NaSbCO2F3/harm

Harmonic properties

../../_images/fig_bandos_pr8945.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12619.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8945.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28706.png

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

Summary

../../_images/fig_times15681.png

(a) Computation time