mp-707874/Ba7Cu3H17/harm

Harmonic properties

../../_images/fig_bandos_pr4276.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5956.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4276.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24089.png

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

Summary

../../_images/fig_times7593.png

(a) Computation time