mp-1193560/NbPb2Se2ClO8/harm

Harmonic properties

../../_images/fig_bandos_pr15834.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20232.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15833.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215429.png

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

Summary

../../_images/fig_times26088.png

(a) Computation time