mp-14415/Pr2Be2GeO7/harm

Harmonic properties

../../_images/fig_bandos_pr14798.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19167.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14798.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214416.png

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

Summary

../../_images/fig_times24567.png

(a) Computation time