mp-554346/KSr4B3O9/harm

Harmonic properties

../../_images/fig_bandos_pr8975.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo8975.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc28736.png

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

Summary

../../_images/fig_times15724.png

(a) Computation time