mp-559901/KNa3Al4Si4O16/harm

Harmonic properties

../../_images/fig_bandos_pr7700.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10813.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7700.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27463.png

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

Summary

../../_images/fig_times13602.png

(a) Computation time