mp-29696/K4Sb2O3/harm

Harmonic properties

../../_images/fig_bandos_pr11283.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15258.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11283.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210999.png

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

Summary

../../_images/fig_times19266.png

(a) Computation time