mp-9911/K3SbS4/harm

Harmonic properties

../../_images/fig_bandos_pr1280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1189.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21146.png

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

Summary

../../_images/fig_times1912.png

(a) Computation time