mp-9798-2/RbSb2Se4/harm

Equation of state

../../_images/fig_bm429.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1241.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1155.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1241.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21107.png

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

Summary

../../_images/fig_times1861.png

(a) Computation time