mp-19479/Na5LaMo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr13383.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17740.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13383.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213023.png

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

Summary

../../_images/fig_times22538.png

(a) Computation time