mp-776661/NbV3O10/harm

Harmonic properties

../../_images/fig_bandos_pr2302.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2620.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22123.png

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

Summary

../../_images/fig_times3749.png

(a) Computation time