mp-772137/Er2Sb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2540.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3041.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2540.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22361.png

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

Summary

../../_images/fig_times4208.png

(a) Computation time