mp-1188581/Si5H8Cl4/harm

Harmonic properties

../../_images/fig_bandos_pr16195.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20657.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16194.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215788.png

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

Summary

../../_images/fig_times26671.png

(a) Computation time