mp-557340/Ge3Pb5O11/harm

Harmonic properties

../../_images/fig_bandos_pr8415.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11823.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8415.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28177.png

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

Summary

../../_images/fig_times14771.png

(a) Computation time