mp-555088/Nd4S3Br6/harm

Harmonic properties

../../_images/fig_bandos_pr8837.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12452.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8837.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28598.png

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

Summary

../../_images/fig_times15498.png

(a) Computation time