mp-770469/Li5TaO5/harm

Harmonic properties

../../_images/fig_bandos_pr2716.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3314.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2716.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22537.png

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

Summary

../../_images/fig_times4539.png

(a) Computation time