mp-1041517/CaSb2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17199.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21643.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216740.png

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

Summary

../../_images/fig_times28112.png

(a) Computation time