mp-1193128/Te2Pb3Br2O6/harm

Harmonic properties

../../_images/fig_bandos_pr15825.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20215.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15824.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215420.png

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

Summary

../../_images/fig_times26068.png

(a) Computation time