mp-651048/Ag9Bi2O6/harm

Harmonic properties

../../_images/fig_bandos_pr5327.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7644.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5327.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25132.png

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

Summary

../../_images/fig_times9616.png

(a) Computation time