mp-43030/Na2Li2Al3Si3ClO12/harm

Harmonic properties

../../_images/fig_bandos_pr10220.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14156.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10220.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29971.png

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

Summary

../../_images/fig_times17676.png

(a) Computation time