mp-22993/AgClO4/harm

Harmonic properties

../../_images/fig_bandos_pr13177.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17575.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13177.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212835.png

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

Summary

../../_images/fig_times22255.png

(a) Computation time