mp-649492/V2PbO6/harm

Harmonic properties

../../_images/fig_bandos_pr5315.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7621.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5315.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25120.png

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

Summary

../../_images/fig_times9592.png

(a) Computation time