mp-28237-2/RbLiBr2/harm

Equation of state

../../_images/fig_bm5739.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11765.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15772.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11765.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211476.png

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

Summary

../../_images/fig_times19971.png

(a) Computation time