mp-560328/Ag15P4S16Cl3/harm

Harmonic properties

../../_images/fig_bandos_pr7800.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10954.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7800.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27563.png

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

Summary

../../_images/fig_times13764.png

(a) Computation time