mp-15541/KNa2Si12B3O30/harm

Harmonic properties

../../_images/fig_bandos_pr14282.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18681.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14282.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213910.png

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

Summary

../../_images/fig_times23856.png

(a) Computation time