mp-29761/UCO5/harm

Harmonic properties

../../_images/fig_bandos_pr11306.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15287.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11306.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211022.png

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

Summary

../../_images/fig_times19300.png

(a) Computation time