mp-12516-2/NdZnSbO/harm

Harmonic properties

../../_images/fig_bandos_pr15656.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20043.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15655.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215251.png

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

Summary

../../_images/fig_times25831.png

(a) Computation time