mp-6507-2/Na2Zn2Si2O7/harm

Equation of state

../../_images/fig_bm3415.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9298.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26241.png

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

Summary

../../_images/fig_times11607.png

(a) Computation time