mp-1020661/NaAlSi2O6/harm

Harmonic properties

../../_images/fig_bandos_pr123.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo123.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2122.png

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

Summary

../../_images/fig_times214.png

(a) Computation time