mp-1413546/As2O5/harm

Harmonic properties

../../_images/fig_bandos_pr14574.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18935.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14574.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214193.png

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

Summary

../../_images/fig_times24247.png

(a) Computation time