mp-694964/Na4MnAl3Si3O16/harm

Harmonic properties

../../_images/fig_bandos_pr4823.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6688.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4823.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24632.png

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

Summary

../../_images/fig_times8535.png

(a) Computation time