mp-557529/Na5P3O10/harm

Harmonic properties

../../_images/fig_bandos_pr8122.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8122.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27884.png

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

Summary

../../_images/fig_times14306.png

(a) Computation time