mp-1199511/RbP2H5O8/harm

Harmonic properties

../../_images/fig_bandos_pr15536.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19934.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15535.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215131.png

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

Summary

../../_images/fig_times25679.png

(a) Computation time