mp-738707/SiPH18C6INCl/harm

Harmonic properties

../../_images/fig_bandos_pr4115.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5561.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4115.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23928.png

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

Summary

../../_images/fig_times7178.png

(a) Computation time