mp-12046/Rb3NaRu2O8/harm

Equation of state

../../_images/fig_bm7595.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15555.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19965.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15554.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215150.png

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

Summary

../../_images/fig_times25711.png

(a) Computation time