mp-17458-2/V2Zn2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13924.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18317.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13924.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213552.png

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

Summary

../../_images/fig_times23329.png

(a) Computation time