mp-720704/NaCa9ScZn9Si20O60/harm

Harmonic properties

../../_images/fig_bandos_pr4306.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4306.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24119.png

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

Summary

../../_images/fig_times7686.png

(a) Computation time