mp-686077-2/Er18Ti14O55/harm

Harmonic properties

../../_images/fig_bandos_pr5024.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5024.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24829.png

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

Summary

../../_images/fig_times8952.png

(a) Computation time