mp-1047058/CaSbAsO5/harm

Harmonic properties

../../_images/fig_bandos_pr17075.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21436.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17074.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216627.png

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

Summary

../../_images/fig_times27839.png

(a) Computation time