mp-16152-2/Pr2Te2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14396.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18769.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14396.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214021.png

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

Summary

../../_images/fig_times23995.png

(a) Computation time