mp-686689/Y2BeAlBO7/harm

Harmonic properties

../../_images/fig_bandos_pr5033.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7085.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5033.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24838.png

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

Summary

../../_images/fig_times8978.png

(a) Computation time