mp-27691-2/K2PtBr6/harm

Equation of state

../../_images/fig_bm5987.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12189.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12189.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211889.png

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

Summary

../../_images/fig_times20655.png

(a) Computation time