mp-605676-2/AgH8C7S2O2F7/harm

Equation of state

../../_images/fig_bm3107.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5961.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8756.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5961.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25756.png

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

Summary

../../_images/fig_times10897.png

(a) Computation time