mp-542567/Rb2Cd3H6S3O16/harm

Harmonic properties

../../_images/fig_bandos_pr9327.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13075.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9327.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29089.png

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

Summary

../../_images/fig_times16250.png

(a) Computation time