mp-677551/Na6MgAl4Si13O36/harm

Harmonic properties

../../_images/fig_bandos_pr5118.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7266.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5118.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24923.png

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

Summary

../../_images/fig_times9173.png

(a) Computation time