mp-774512-2/Li2UW2O10/harm

Equation of state

../../_images/fig_bm1181.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2410.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2814.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2410.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22231.png

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

Summary

../../_images/fig_times3951.png

(a) Computation time