mp-1190325/Ag2P2PdO7/harm

Harmonic properties

../../_images/fig_bandos_pr15974.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20379.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15973.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215569.png

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

Summary

../../_images/fig_times26300.png

(a) Computation time