mp-1020620/Rb5Li6B11O22/harm

Harmonic properties

../../_images/fig_bandos_pr109.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo109.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2108.png

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

Summary

../../_images/fig_times184.png

(a) Computation time