mp-10429-2/LaYO3/harm

Harmonic properties

../../_images/fig_bandos_pr575.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos500.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo575.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2493.png

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

Summary

../../_images/fig_times844.png

(a) Computation time