mp-29361/K2U2O7/harm

Harmonic properties

../../_images/fig_bandos_pr11158.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15121.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11158.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210875.png

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

Summary

../../_images/fig_times19074.png

(a) Computation time