mp-5990/CsLiB6O10/harm

Harmonic properties

../../_images/fig_bandos_pr9785.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13657.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9785.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29541.png

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

Summary

../../_images/fig_times17005.png

(a) Computation time