mp-731594-2/C/harm

Harmonic properties

../../_images/fig_bandos_pr4048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5407.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23861.png

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

Summary

../../_images/fig_times7019.png

(a) Computation time