mp-541275/Cs2UCl4O2/harm

Harmonic properties

../../_images/fig_bandos_pr9493.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13284.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9493.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29254.png

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

Summary

../../_images/fig_times16512.png

(a) Computation time