mp-24022-2/RbH3Se2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12602.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16959.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12602.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212300.png

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

Summary

../../_images/fig_times21412.png

(a) Computation time