mp-556562/LiAsH6O3F6/harm

Harmonic properties

../../_images/fig_bandos_pr8556.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12029.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8556.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28317.png

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

Summary

../../_images/fig_times15015.png

(a) Computation time