mp-5990-2/CsLiB6O10/harm

Equation of state

../../_images/fig_bm4883.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9786.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13658.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9786.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29542.png

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

Summary

../../_images/fig_times17006.png

(a) Computation time