mp-556570/Ag4SeI2O4/harm

Harmonic properties

../../_images/fig_bandos_pr8558.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12032.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8558.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28319.png

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

Summary

../../_images/fig_times15018.png

(a) Computation time