mp-778450-2/LaSmO3/harm

Equation of state

../../_images/fig_bm942.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2166.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2244.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2166.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21987.png

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

Summary

../../_images/fig_times3345.png

(a) Computation time