mp-7064-2/Er2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr4788.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6664.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4788.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24599.png

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

Summary

../../_images/fig_times8492.png

(a) Computation time