mp-22756/K2PbO3/harm

Harmonic properties

../../_images/fig_bandos_pr13102.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17491.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13102.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212780.png

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

Summary

../../_images/fig_times22132.png

(a) Computation time