mp-556983/LaGaO3/harm

Harmonic properties

../../_images/fig_bandos_pr8341.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11728.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8341.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28103.png

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

Summary

../../_images/fig_times14653.png

(a) Computation time