mp-20496-2/Ga2PbO4/harm

Harmonic properties

../../_images/fig_bandos_pr13484.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17839.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13484.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213119.png

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

Summary

../../_images/fig_times22686.png

(a) Computation time