mp-697263/LiAsH2OF6/harm

Harmonic properties

../../_images/fig_bandos_pr4681.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo4681.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24492.png

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

Summary

../../_images/fig_times8288.png

(a) Computation time