mp-1095378/AsAuO4/harm

Harmonic properties

../../_images/fig_bandos_pr16682.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21037.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16681.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216252.png

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

Summary

../../_images/fig_times27258.png

(a) Computation time