mp-12192-2/La2Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15571.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15570.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215166.png

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

Summary

../../_images/fig_times25729.png

(a) Computation time