mp-3808-2/K2UO4/harm

Equation of state

../../_images/fig_bm5279.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10644.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10644.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210377.png

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

Summary

../../_images/fig_times18279.png

(a) Computation time