mp-560037/Rb2NaBiF6/harm

Equation of state

../../_images/fig_bm4006.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7742.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10859.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7742.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27505.png

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

Summary

../../_images/fig_times13655.png

(a) Computation time