mp-571467-2/Cs2NaYBr6/harm

Equation of state

../../_images/fig_bm3560.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6664.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9562.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6664.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26454.png

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

Summary

../../_images/fig_times11942.png

(a) Computation time