mp-2874-2/In2Si2O7/harm

Equation of state

../../_images/fig_bm6629.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13266.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17641.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13266.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212909.png

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

Summary

../../_images/fig_times22378.png

(a) Computation time