mp-10097-2/Na3Sr3GaAs4/harm

Harmonic properties

../../_images/fig_bandos_pr505.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos450.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo505.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2430.png

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

Summary

../../_images/fig_times760.png

(a) Computation time