mp-14977/Na3YSi6O15/harm

Harmonic properties

../../_images/fig_bandos_pr14564.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18923.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14564.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214183.png

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

Summary

../../_images/fig_times24232.png

(a) Computation time