mp-570974-2/BeCl2/harm

Harmonic properties

../../_images/fig_bandos_pr6882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9865.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26663.png

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

Summary

../../_images/fig_times12349.png

(a) Computation time