mp-6995-2/SrAl12O19/harm

Harmonic properties

../../_images/fig_bandos_pr6243.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9095.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6243.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26033.png

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

Summary

../../_images/fig_times11334.png

(a) Computation time