mp-773103/ErTa7O19/harm

Harmonic properties

../../_images/fig_bandos_pr2347.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2717.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2347.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22168.png

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

Summary

../../_images/fig_times3851.png

(a) Computation time