mp-1020705/Rb2Li3BP4O14/harm

Harmonic properties

../../_images/fig_bandos_pr126.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos156.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo126.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2125.png

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

Summary

../../_images/fig_times220.png

(a) Computation time