mp-630851-2/Cs3NaPb4/harm

Harmonic properties

../../_images/fig_bandos_pr5621.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8051.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5621.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25422.png

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

Summary

../../_images/fig_times10138.png

(a) Computation time