mp-554947/NaSiBO4/harm

Harmonic properties

../../_images/fig_bandos_pr8803.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12400.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8803.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28564.png

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

Summary

../../_images/fig_times15437.png

(a) Computation time