mp-626631/AlH3O3/harm

Harmonic properties

../../_images/fig_bandos_pr5796.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8437.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5796.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25592.png

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

Summary

../../_images/fig_times10553.png

(a) Computation time