mp-561525/K2Ga2B2O7/harm

Harmonic properties

../../_images/fig_bandos_pr7414.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7414.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27178.png

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

Summary

../../_images/fig_times13139.png

(a) Computation time