mp-643431/AgH4WS4N/harm

Harmonic properties

../../_images/fig_bandos_pr5505.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7905.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5505.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25307.png

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

Summary

../../_images/fig_times9945.png

(a) Computation time