mp-555784/Na2UMo2O10/harm

Harmonic properties

../../_images/fig_bandos_pr8669.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12186.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8669.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28430.png

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

Summary

../../_images/fig_times15198.png

(a) Computation time