mp-561443-2/Ba3P2S8/harm

Equation of state

../../_images/fig_bm3896.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7396.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7396.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27160.png

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

Summary

../../_images/fig_times13105.png

(a) Computation time