mp-5387/YNbO4/harm

Equation of state

../../_images/fig_bm4969.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9957.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13885.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9957.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29710.png

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

Summary

../../_images/fig_times17297.png

(a) Computation time