mp-15144-2/ZnAg2GeO4/harm

Equation of state

../../_images/fig_bm7303.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14600.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18979.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14600.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214219.png

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

Summary

../../_images/fig_times24298.png

(a) Computation time