mp-1217962-2/SrSmAlO4/harm

Harmonic properties

../../_images/fig_bandos_pr15233.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19615.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15232.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214845.png

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

Summary

../../_images/fig_times25210.png

(a) Computation time