mp-608014-2/K2Ge2Pb2O7/harm

Equation of state

../../_images/fig_bm3127.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5980.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8794.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5980.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25775.png

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

Summary

../../_images/fig_times10942.png

(a) Computation time