mp-818573/UMo2O12/harm

Harmonic properties

../../_images/fig_bandos_pr1684.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1616.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1684.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21517.png

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

Summary

../../_images/fig_times2518.png

(a) Computation time