mp-17885/Ba2Ge2Te5/harm

Harmonic properties

../../_images/fig_bandos_pr14053.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18432.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213681.png

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

Summary

../../_images/fig_times23510.png

(a) Computation time