mp-27949/Si2H6O/harm

Equation of state

../../_images/fig_bm5849.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11974.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16027.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11974.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211677.png

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

Summary

../../_images/fig_times20305.png

(a) Computation time