mp-18575/Nb2Zn3O8/harm

Harmonic properties

../../_images/fig_bandos_pr13553.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17914.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13553.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213181.png

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

Summary

../../_images/fig_times22795.png

(a) Computation time