mp-27140/K2Sb4O11/harm

Harmonic properties

../../_images/fig_bandos_pr12259.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16435.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12259.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211958.png

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

Summary

../../_images/fig_times20795.png

(a) Computation time