mp-695056/Na6CaZrSi6O18/harm

Harmonic properties

../../_images/fig_bandos_pr4827.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4827.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24636.png

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

Summary

../../_images/fig_times8541.png

(a) Computation time