mp-28090/Si2H2S3/harm

Harmonic properties

../../_images/fig_bandos_pr11685.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15680.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11685.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211396.png

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

Summary

../../_images/fig_times19866.png

(a) Computation time