mp-1047315/CaSb2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17082.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21448.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17081.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216634.png

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

Summary

../../_images/fig_times27853.png

(a) Computation time