mp-765493/Ba2Sb2O5/harm

Harmonic properties

../../_images/fig_bandos_pr2989.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3791.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2989.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22809.png

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

Summary

../../_images/fig_times5087.png

(a) Computation time