mp-1218001/Ta2O5/harm

Harmonic properties

../../_images/fig_bandos_pr15237.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19617.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15236.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214849.png

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

Summary

../../_images/fig_times25214.png

(a) Computation time