mp-568696-2/SiC/harm

Equation of state

../../_images/fig_bm3715.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6947.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9936.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6947.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26725.png

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

Summary

../../_images/fig_times12448.png

(a) Computation time