mp-18740-2/V2Cd2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13601.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17962.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13601.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213229.png

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

Summary

../../_images/fig_times22856.png

(a) Computation time