mp-1102977/GaAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr16558.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20943.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16557.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216133.png

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

Summary

../../_images/fig_times27099.png

(a) Computation time