mp-1227061/CaLaGaO4/harm

Harmonic properties

../../_images/fig_bandos_pr15106.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19477.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15105.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214721.png

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

Summary

../../_images/fig_times25001.png

(a) Computation time