mp-1190949-2/Ba2ZnGe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr16035.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20452.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16034.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215630.png

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

Summary

../../_images/fig_times26391.png

(a) Computation time