mp-720244/NaCaMgAlSi4O12/harm

Harmonic properties

../../_images/fig_bandos_pr4294.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6007.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4294.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24107.png

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

Summary

../../_images/fig_times7644.png

(a) Computation time