mp-1110833/K2NaBiF6/harm

Harmonic properties

../../_images/fig_bandos_pr16308.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20745.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16307.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215901.png

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

Summary

../../_images/fig_times26808.png

(a) Computation time