mp-570238-2/P10Au7I/harm

Equation of state

../../_images/fig_bm3632.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6788.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9745.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6788.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26575.png

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

Summary

../../_images/fig_times12183.png

(a) Computation time