mp-6198-2/SrGa2Si2O8/harm

Equation of state

../../_images/fig_bm3332.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6308.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9167.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6308.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26098.png

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

Summary

../../_images/fig_times11424.png

(a) Computation time