mp-1788-2/As2O5/harm

Harmonic properties

../../_images/fig_bandos_pr219.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos236.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo219.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2199.png

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

Summary

../../_images/fig_times365.png

(a) Computation time