mp-559263/K2Li4UO6/harm

Harmonic properties

../../_images/fig_bandos_pr7892.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11080.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7892.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27654.png

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

Summary

../../_images/fig_times13907.png

(a) Computation time