mp-6798/Ba2NaReO6/harm

Harmonic properties

../../_images/fig_bandos_pr6169.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9042.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6169.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25960.png

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

Summary

../../_images/fig_times11245.png

(a) Computation time