mp-14030/Na2LiYSi6O15/harm

Harmonic properties

../../_images/fig_bandos_pr14668.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19054.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14668.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214287.png

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

Summary

../../_images/fig_times24402.png

(a) Computation time