mp-14964/Pr3TaO7/harm

Harmonic properties

../../_images/fig_bandos_pr14558.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18918.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14558.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214177.png

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

Summary

../../_images/fig_times24226.png

(a) Computation time