mp-560875/K2Ge4O9/harm

Harmonic properties

../../_images/fig_bandos_pr7596.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10671.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7596.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27359.png

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

Summary

../../_images/fig_times13433.png

(a) Computation time