mp-1045293/CaSb2O6/harm

Harmonic properties

../../_images/fig_bandos_pr17046.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21392.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17045.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216598.png

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

Summary

../../_images/fig_times27791.png

(a) Computation time