mp-777751/Li3Nb3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr2141.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2185.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2141.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21962.png

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

Summary

../../_images/fig_times3282.png

(a) Computation time