mp-1200529/CuAsPbO5/harm

Harmonic properties

../../_images/fig_bandos_pr15539.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19941.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15538.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215134.png

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

Summary

../../_images/fig_times25686.png

(a) Computation time