mp-11654-2/BAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr16825.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21141.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16824.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216380.png

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

Summary

../../_images/fig_times27453.png

(a) Computation time