mp-510293/Pb3SeO5/harm

Harmonic properties

../../_images/fig_bandos_pr9604.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9604.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29365.png

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

Summary

../../_images/fig_times16701.png

(a) Computation time