mp-23267-2/BeCl2/harm

Harmonic properties

../../_images/fig_bandos_pr12971.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17355.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12971.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212659.png

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

Summary

../../_images/fig_times21938.png

(a) Computation time