mp-1020648/NaLaSiO4/harm

Harmonic properties

../../_images/fig_bandos_pr121.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos143.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo121.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2120.png

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

Summary

../../_images/fig_times206.png

(a) Computation time