mp-36538/La2PbS4/harm

Harmonic properties

../../_images/fig_bandos_pr10555.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14470.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10555.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210291.png

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

Summary

../../_images/fig_times18150.png

(a) Computation time