mp-557563/MoPb3Cl2O5/harm

Harmonic properties

../../_images/fig_bandos_pr8132.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11432.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27894.png

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

Summary

../../_images/fig_times14319.png

(a) Computation time