mp-9338/Ba2MgSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr1443.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1344.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1443.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21295.png

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

Summary

../../_images/fig_times2159.png

(a) Computation time