mp-558054/SrLi2Ta2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8254.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11606.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8254.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28016.png

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

Summary

../../_images/fig_times14511.png

(a) Computation time