mp-23894-2/LiAsH2O4/harm

Harmonic properties

../../_images/fig_bandos_pr12543.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16879.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12543.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212241.png

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

Summary

../../_images/fig_times21320.png

(a) Computation time