mp-557861/Li2CaTa2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8208.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11541.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8208.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27970.png

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

Summary

../../_images/fig_times14441.png

(a) Computation time