mp-776555/NaV3P2O13/harm

Harmonic properties

../../_images/fig_bandos_pr2296.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2608.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2296.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22117.png

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

Summary

../../_images/fig_times3737.png

(a) Computation time