mp-1192417/BaGePbO4/harm

Harmonic properties

../../_images/fig_bandos_pr15790.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20161.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15789.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215385.png

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

Summary

../../_images/fig_times26002.png

(a) Computation time