mp-780010-2/Ba2GeO4/harm

Equation of state

../../_images/fig_bm1010.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2228.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2400.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2228.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22049.png

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

Summary

../../_images/fig_times3512.png

(a) Computation time