mp-1105201/Ba5In4Te4S7/harm

Harmonic properties

../../_images/fig_bandos_pr16638.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21003.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16637.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216210.png

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

Summary

../../_images/fig_times27199.png

(a) Computation time