mp-29310/Si2H6Se/harm

Harmonic properties

../../_images/fig_bandos_pr11485.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15493.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11485.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211200.png

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

Summary

../../_images/fig_times19582.png

(a) Computation time