mp-1025276/Sm2AlNO3/harm

Harmonic properties

../../_images/fig_bandos_pr17153.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21539.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17152.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216696.png

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

Summary

../../_images/fig_times27982.png

(a) Computation time