mp-568333/K2SnBr6/harm

Equation of state

../../_images/fig_bm3850.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7270.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10254.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7270.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27036.png

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

Summary

../../_images/fig_times12909.png

(a) Computation time