mp-1192446/Pb2SeN2O9/harm

Harmonic properties

../../_images/fig_bandos_pr15792.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20164.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15791.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215387.png

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

Summary

../../_images/fig_times26006.png

(a) Computation time