mp-703293/P5HCN3Cl18/harm

Harmonic properties

../../_images/fig_bandos_pr4419.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6165.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4419.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24232.png

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

Summary

../../_images/fig_times7852.png

(a) Computation time