mp-556672-2/SnSe2O6/harm

Equation of state

../../_images/fig_bm4348.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12078.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28344.png

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

Summary

../../_images/fig_times15067.png

(a) Computation time