mp-1095287/ScTlP2S7/harm

Harmonic properties

../../_images/fig_bandos_pr16674.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21032.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16673.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216244.png

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

Summary

../../_images/fig_times27247.png

(a) Computation time