mp-706336/Na4Be2Si6SnH4O20/harm

Harmonic properties

../../_images/fig_bandos_pr4454.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6249.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4454.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24267.png

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

Summary

../../_images/fig_times7938.png

(a) Computation time