mp-769210/Tb2Pb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2650.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3217.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2650.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22471.png

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

Summary

../../_images/fig_times4418.png

(a) Computation time