mp-540866/Na6Mg2C4SO16/harm

Harmonic properties

../../_images/fig_bandos_pr9730.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13610.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9730.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29489.png

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

Summary

../../_images/fig_times16926.png

(a) Computation time