mp-756704-2/LuTa3O9/harm

Harmonic properties

../../_images/fig_bandos_pr3352.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4454.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3352.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23171.png

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

Summary

../../_images/fig_times5810.png

(a) Computation time