mp-14676/NdTa7O19/harm

Harmonic properties

../../_images/fig_bandos_pr14511.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18869.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14511.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214130.png

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

Summary

../../_images/fig_times24162.png

(a) Computation time