mp-680460/Rb2Cd2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr5167.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7364.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5167.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24972.png

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

Summary

../../_images/fig_times9285.png

(a) Computation time