mp-22730/Na2MoO4/harm

Harmonic properties

../../_images/fig_bandos_pr13098.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17482.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13098.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212776.png

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

Summary

../../_images/fig_times22122.png

(a) Computation time