mp-557019-2/RbErSeCl2O3/harm

Equation of state

../../_images/fig_bm4252.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8352.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11744.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8352.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28114.png

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

Summary

../../_images/fig_times14672.png

(a) Computation time