mp-9774/Ba4Sb2O/harm

Harmonic properties

../../_images/fig_bandos_pr1230.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1140.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1230.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21096.png

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

Summary

../../_images/fig_times1841.png

(a) Computation time