mp-774479/LiCa2Ta3O10/harm

Harmonic properties

../../_images/fig_bandos_pr2405.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2809.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2405.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22226.png

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

Summary

../../_images/fig_times3946.png

(a) Computation time