mp-1080080/LaAlO3/harm

Harmonic properties

../../_images/fig_bandos_pr16969.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21276.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16968.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216521.png

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

Summary

../../_images/fig_times27657.png

(a) Computation time