mp-18690-2/SmF3/harm

Harmonic properties

../../_images/fig_bandos_pr13590.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17951.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13590.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213218.png

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

Summary

../../_images/fig_times22843.png

(a) Computation time