mp-27749/K2Sb4S7/harm

Harmonic properties

../../_images/fig_bandos_pr11882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15916.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211593.png

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

Summary

../../_images/fig_times20162.png

(a) Computation time