mp-756160/Er3TaO7/harm

Harmonic properties

../../_images/fig_bandos_pr3542.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4744.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3542.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23360.png

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

Summary

../../_images/fig_times6166.png

(a) Computation time