mp-9911-2/K3SbS4/harm

Equation of state

../../_images/fig_bm447.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1281.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1190.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1281.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21147.png

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

Summary

../../_images/fig_times1913.png

(a) Computation time