mp-676988/Na3HoTi2Nb2O12/harm

Harmonic properties

../../_images/fig_bandos_pr5082.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7194.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5082.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24887.png

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

Summary

../../_images/fig_times9096.png

(a) Computation time