mp-555471/La3Ti5Al15O37/harm

Harmonic properties

../../_images/fig_bandos_pr8618.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo8618.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc28379.png

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

Summary

../../_images/fig_times15115.png

(a) Computation time