mp-34381/H4IN/harm

Harmonic properties

../../_images/fig_bandos_pr10478.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10478.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210220.png

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

Summary

../../_images/fig_times18047.png

(a) Computation time