mp-557691/La2O3/harm

Harmonic properties

../../_images/fig_bandos_pr8159.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11476.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27921.png

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

Summary

../../_images/fig_times14365.png

(a) Computation time