mp-699219/NaZnSiHO4/harm

Equation of state

../../_images/fig_bm2359.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4752.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6610.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4752.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24563.png

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

Summary

../../_images/fig_times8426.png

(a) Computation time