mp-561189/Rb6Si10O23/harm

Harmonic properties

../../_images/fig_bandos_pr7336.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10325.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7336.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27100.png

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

Summary

../../_images/fig_times13010.png

(a) Computation time