mp-556865/NaBe2BO3F2/harm

Harmonic properties

../../_images/fig_bandos_pr8315.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11698.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8315.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28077.png

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

Summary

../../_images/fig_times14614.png

(a) Computation time