mp-694876-2/NaSr2LaTi4O12/harm

Harmonic properties

../../_images/fig_bandos_pr5066.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7150.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5066.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24871.png

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

Summary

../../_images/fig_times9051.png

(a) Computation time