mp-28558-2/RbGeBr3/harm

Equation of state

../../_images/fig_bm5635.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11533.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15543.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11533.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211247.png

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

Summary

../../_images/fig_times19651.png

(a) Computation time