mp-11794/AlAgO2/harm

Harmonic properties

../../_images/fig_bandos_pr16476.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16475.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216053.png

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

Summary

../../_images/fig_times26979.png

(a) Computation time