mp-568970-2/K3SnIrCl8/harm

Equation of state

../../_images/fig_bm3728.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6977.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9962.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6977.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26755.png

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

Summary

../../_images/fig_times12487.png

(a) Computation time