mp-643814/Zn2SiH2O5/harm

Equation of state

../../_images/fig_bm2694.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5537.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7934.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5537.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25339.png

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

Summary

../../_images/fig_times9991.png

(a) Computation time