mp-581584/Cs2USi2O8/harm

Harmonic properties

../../_images/fig_bandos_pr6771.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9730.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6771.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26558.png

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

Summary

../../_images/fig_times12160.png

(a) Computation time