mp-695170-2/Nd3Al3Si3N2O12/harm

Harmonic properties

../../_images/fig_bandos_pr4831.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4831.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24640.png

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

Summary

../../_images/fig_times8549.png

(a) Computation time