mp-1190185/RbPrNb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15961.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20372.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15960.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215556.png

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

Summary

../../_images/fig_times26285.png

(a) Computation time