mp-14145/Ca2Sb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14707.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19077.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14707.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214325.png

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

Summary

../../_images/fig_times24445.png

(a) Computation time