mp-942-2/AuF3/harm

Equation of state

../../_images/fig_bm149.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr475.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos428.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo475.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2401.png

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

Summary

../../_images/fig_times725.png

(a) Computation time