mp-772290/LiAgO/harm

Harmonic properties

../../_images/fig_bandos_pr2559.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3070.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2559.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22380.png

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

Summary

../../_images/fig_times4243.png

(a) Computation time