mp-504827/Ga10GePb3O20/harm

Harmonic properties

../../_images/fig_bandos_pr9817.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13715.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9817.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29572.png

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

Summary

../../_images/fig_times17071.png

(a) Computation time