mp-555155/KNa2YSi6O15/harm

Harmonic properties

../../_images/fig_bandos_pr8857.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12485.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8857.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28618.png

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

Summary

../../_images/fig_times15536.png

(a) Computation time