mp-977371/PW4Cl11/harm

Harmonic properties

../../_images/fig_bandos_pr1053.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos978.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2921.png

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

Summary

../../_images/fig_times1570.png

(a) Computation time