mp-8300/Ba4As2O/harm

Harmonic properties

../../_images/fig_bandos_pr2128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2159.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2128.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21949.png

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

Summary

../../_images/fig_times3255.png

(a) Computation time