mp-557584/K4BaGe3O9/harm

Harmonic properties

../../_images/fig_bandos_pr8136.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11437.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8136.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27898.png

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

Summary

../../_images/fig_times14325.png

(a) Computation time