mp-620372/Rb2Se5/harm

Harmonic properties

../../_images/fig_bandos_pr6064.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8924.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6064.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25855.png

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

Summary

../../_images/fig_times11097.png

(a) Computation time