mp-673677-2/La2Th3O9/harm

Harmonic properties

../../_images/fig_bandos_pr5412.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7813.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5412.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25217.png

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

Summary

../../_images/fig_times9811.png

(a) Computation time