mp-1192931/BaCl2O11/harm

Harmonic properties

../../_images/fig_bandos_pr15817.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20208.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15816.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215412.png

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

Summary

../../_images/fig_times26059.png

(a) Computation time