mp-753401-2/Sc2TiO5/harm

Harmonic properties

../../_images/fig_bandos_pr4002.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5327.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4002.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23815.png

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

Summary

../../_images/fig_times6929.png

(a) Computation time