mp-850445/Na3Zn4As3H12O19/harm

Harmonic properties

../../_images/fig_bandos_pr1723.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1715.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1723.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21555.png

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

Summary

../../_images/fig_times2619.png

(a) Computation time