mp-1167/CF4/harm

Equation of state

../../_images/fig_bm253.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr720.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos585.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo720.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2626.png

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

Summary

../../_images/fig_times1025.png

(a) Computation time