mp-29033-2/P3BrCl14/harm

Equation of state

../../_images/fig_bm5556.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11367.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15359.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11367.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211083.png

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

Summary

../../_images/fig_times19399.png

(a) Computation time