mp-19463/Na5TbW4O16/harm

Harmonic properties

../../_images/fig_bandos_pr13380.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17734.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13380.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213020.png

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

Summary

../../_images/fig_times22532.png

(a) Computation time