mp-541081/NaMg2H3S2O8/harm

Harmonic properties

../../_images/fig_bandos_pr9470.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9470.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29231.png

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

Summary

../../_images/fig_times16471.png

(a) Computation time