mp-27140-2/K2Sb4O11/harm

Equation of state

../../_images/fig_bm6035.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12260.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16436.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12260.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211959.png

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

Summary

../../_images/fig_times20796.png

(a) Computation time