mp-571425-2/Ag2Hg7P8Br6/harm

Equation of state

../../_images/fig_bm3553.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6654.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9546.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6654.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26444.png

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

Summary

../../_images/fig_times11923.png

(a) Computation time