mp-17350/La2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr14256.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18654.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14256.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213884.png

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

Summary

../../_images/fig_times23816.png

(a) Computation time