mp-557890/Er2Hf2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11546.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8212.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27974.png

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

Summary

../../_images/fig_times14447.png

(a) Computation time