mp-1103472/Na2UF8/harm

Harmonic properties

../../_images/fig_bandos_pr16579.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20956.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16578.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216154.png

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

Summary

../../_images/fig_times27125.png

(a) Computation time