mp-690914/KNaMg5Si12O30/harm

Harmonic properties

../../_images/fig_bandos_pr5054.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7129.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5054.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24859.png

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

Summary

../../_images/fig_times9028.png

(a) Computation time