mp-541155-2/VS4/harm

Equation of state

../../_images/fig_bm4735.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9480.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9480.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29241.png

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

Summary

../../_images/fig_times16490.png

(a) Computation time