mp-12881/Ba3NbGa3Si2O14/harm

Harmonic properties

../../_images/fig_bandos_pr15713.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15712.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215308.png

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

Summary

../../_images/fig_times25894.png

(a) Computation time