mp-12187/Na2Mg2Si6O15/harm

Harmonic properties

../../_images/fig_bandos_pr15569.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19979.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15568.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215164.png

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

Summary

../../_images/fig_times25727.png

(a) Computation time