mp-19461/Na5NdW4O16/harm

Equation of state

../../_images/fig_bm6680.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13378.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17732.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13378.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213018.png

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

Summary

../../_images/fig_times22530.png

(a) Computation time