mp-560559/TeC4Cl2F6/harm

Harmonic properties

../../_images/fig_bandos_pr7517.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10578.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7517.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27281.png

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

Summary

../../_images/fig_times13309.png

(a) Computation time