mp-559502/Ba3NaNd3Si6O20/harm

Harmonic properties

../../_images/fig_bandos_pr7934.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11147.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7934.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27696.png

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

Summary

../../_images/fig_times13987.png

(a) Computation time