mp-557836/Na5B2P3O13/harm

Harmonic properties

../../_images/fig_bandos_pr8198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11531.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27960.png

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

Summary

../../_images/fig_times14428.png

(a) Computation time