mp-6759-2/BaGa2Si2O8/harm

Harmonic properties

../../_images/fig_bandos_pr6149.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9016.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6149.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25940.png

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

Summary

../../_images/fig_times11215.png

(a) Computation time