mp-566231/Na3MgC2ClO6/harm

Harmonic properties

../../_images/fig_bandos_pr7132.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26903.png

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

Summary

../../_images/fig_times12721.png

(a) Computation time