mp-733454-2/PbC2S2Br2N4/harm

Harmonic properties

../../_images/fig_bandos_pr4062.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5442.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4062.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23875.png

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

Summary

../../_images/fig_times7056.png

(a) Computation time