mp-557122-2/RbAuSe2O8/harm

Equation of state

../../_images/fig_bm4258.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8374.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11770.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8374.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28136.png

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

Summary

../../_images/fig_times14706.png

(a) Computation time