mp-863423/SrGa12O19/harm

Harmonic properties

../../_images/fig_bandos_pr1526.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1434.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1526.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21373.png

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

Summary

../../_images/fig_times2279.png

(a) Computation time