mp-22661/InAgP2S6/harm

Harmonic properties

../../_images/fig_bandos_pr13089.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17470.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212767.png

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

Summary

../../_images/fig_times22109.png

(a) Computation time