mp-707396/Na3As3H2O10/harm

Harmonic properties

../../_images/fig_bandos_pr4251.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5906.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4251.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24064.png

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

Summary

../../_images/fig_times7538.png

(a) Computation time