mp-626037/Si2H2O5/harm

Harmonic properties

../../_images/fig_bandos_pr5737.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8257.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5737.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25533.png

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

Summary

../../_images/fig_times10372.png

(a) Computation time