mp-7825/K2GeF6/harm

Harmonic properties

../../_images/fig_bandos_pr4329.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6107.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4329.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24142.png

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

Summary

../../_images/fig_times7748.png

(a) Computation time