mp-772740/Ba4Lu6O13/harm

Harmonic properties

../../_images/fig_bandos_pr2579.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3114.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22400.png

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

Summary

../../_images/fig_times4290.png

(a) Computation time