mp-772771/La4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr2586.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3122.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2586.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22407.png

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

Summary

../../_images/fig_times4298.png

(a) Computation time