mp-772019/Ba5La2Cl16/harm

Harmonic properties

../../_images/fig_bandos_pr2518.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3018.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2518.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22339.png

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

Summary

../../_images/fig_times4177.png

(a) Computation time