mp-12047-2/K3NaRu2O8/harm

Equation of state

../../_images/fig_bm7596.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15558.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19968.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15557.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215153.png

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

Summary

../../_images/fig_times25714.png

(a) Computation time