mp-778450/LaSmO3/harm

Harmonic properties

../../_images/fig_bandos_pr2165.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2243.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2165.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21986.png

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

Summary

../../_images/fig_times3344.png

(a) Computation time