mp-971661-2/Si/harm

Harmonic properties

../../_images/fig_bandos_pr991.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos914.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo991.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2860.png

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

Summary

../../_images/fig_times1475.png

(a) Computation time