mp-573373-2/PICl8/harm

Equation of state

../../_images/fig_bm3594.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6714.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9652.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6714.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26504.png

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

Summary

../../_images/fig_times12055.png

(a) Computation time