mp-23961/Na3AsH18Se4O9/harm

Harmonic properties

../../_images/fig_bandos_pr12579.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16924.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212277.png

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

Summary

../../_images/fig_times21374.png

(a) Computation time