mp-19464/Na5LuMo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr13381.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17735.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213021.png

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

Summary

../../_images/fig_times22533.png

(a) Computation time