mp-556167/SrAl4O7/harm

Harmonic properties

../../_images/fig_bandos_pr8463.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11885.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8463.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28225.png

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

Summary

../../_images/fig_times14851.png

(a) Computation time