mp-1193226/Na3VP2O9/harm

Harmonic properties

../../_images/fig_bandos_pr15830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20219.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15829.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215425.png

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

Summary

../../_images/fig_times26074.png

(a) Computation time