mp-554766/AgPXe2F10/harm

Equation of state

../../_images/fig_bm4583.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9078.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12798.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9078.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28840.png

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

Summary

../../_images/fig_times15887.png

(a) Computation time