mp-36775/SrAl2O4/harm

Harmonic properties

../../_images/fig_bandos_pr10564.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14483.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10564.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210300.png

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

Summary

../../_images/fig_times18163.png

(a) Computation time