mp-1048167/BaSb4O7/harm

Harmonic properties

../../_images/fig_bandos_pr17103.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21490.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17102.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216655.png

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

Summary

../../_images/fig_times27901.png

(a) Computation time