mp-23781/Rb3HS2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16811.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212194.png

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

Summary

../../_images/fig_times21238.png

(a) Computation time