mp-29705/Rb6Sn2S7/harm

Harmonic properties

../../_images/fig_bandos_pr11287.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11287.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211003.png

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

Summary

../../_images/fig_times19273.png

(a) Computation time