mp-620372-2/Rb2Se5/harm

Equation of state

../../_images/fig_bm3195.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6065.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8925.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6065.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25856.png

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

Summary

../../_images/fig_times11098.png

(a) Computation time