mp-1227457/CCl3/harm

Harmonic properties

../../_images/fig_bandos_pr15125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19502.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214740.png

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

Summary

../../_images/fig_times25035.png

(a) Computation time