mp-1192238/Sm3TaO7/harm

Harmonic properties

../../_images/fig_bandos_pr15781.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20146.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15780.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215376.png

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

Summary

../../_images/fig_times25986.png

(a) Computation time