mp-27384-2/AgIO3/harm

Harmonic properties

../../_images/fig_bandos_pr12066.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16143.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12066.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211768.png

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

Summary

../../_images/fig_times20451.png

(a) Computation time