mp-1102291/La3TaO7/harm

Harmonic properties

../../_images/fig_bandos_pr16533.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20925.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16532.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216108.png

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

Summary

../../_images/fig_times27065.png

(a) Computation time