mp-734188-2/O2/harm

Harmonic properties

../../_images/fig_bandos_pr4092.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5508.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4092.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23905.png

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

Summary

../../_images/fig_times7123.png

(a) Computation time