mp-772140/Ba2LaI7/harm

Harmonic properties

../../_images/fig_bandos_pr2541.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3042.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2541.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22362.png

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

Summary

../../_images/fig_times4209.png

(a) Computation time