mp-757722/BaZnGeO4/harm

Equation of state

../../_images/fig_bm1454.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3174.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4180.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3174.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22993.png

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

Summary

../../_images/fig_times5502.png

(a) Computation time