mp-1189095/AgPN2O2/harm

Harmonic properties

../../_images/fig_bandos_pr15901.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20315.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15900.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215496.png

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

Summary

../../_images/fig_times26198.png

(a) Computation time