mp-1197546/CaCuAsO5/harm

Harmonic properties

../../_images/fig_bandos_pr15531.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19921.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15530.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215126.png

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

Summary

../../_images/fig_times25666.png

(a) Computation time