mp-1044693/CaSb2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17041.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21377.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17040.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216593.png

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

Summary

../../_images/fig_times27776.png

(a) Computation time