mp-6785-2/K3UO2F5/harm

Harmonic properties

../../_images/fig_bandos_pr6163.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9036.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6163.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25954.png

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

Summary

../../_images/fig_times11237.png

(a) Computation time