mp-636461/Ga2Ge4Pb3O14/harm

Harmonic properties

../../_images/fig_bandos_pr5670.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8160.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5670.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25469.png

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

Summary

../../_images/fig_times10256.png

(a) Computation time