mp-13643/Er2Ge2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14919.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19281.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14919.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214536.png

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

Summary

../../_images/fig_times24734.png

(a) Computation time