mp-12015-2/KAg2AsO4/harm

Harmonic properties

../../_images/fig_bandos_pr15549.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19954.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15548.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215144.png

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

Summary

../../_images/fig_times25700.png

(a) Computation time