mp-560622/CaLa2B10O19/harm

Harmonic properties

../../_images/fig_bandos_pr7534.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10598.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7534.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27298.png

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

Summary

../../_images/fig_times13340.png

(a) Computation time