mp-10080-2/PrGeBO5/harm

Equation of state

../../_images/fig_bm158.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr497.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo497.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2422.png

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

Summary

../../_images/fig_times752.png

(a) Computation time