mp-561011/Li2Ta2O3F6/harm

Harmonic properties

../../_images/fig_bandos_pr7618.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7618.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27381.png

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

Summary

../../_images/fig_times13472.png

(a) Computation time