mp-735483/Na3LiMo2H12O14/harm

Harmonic properties

../../_images/fig_bandos_pr4102.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5533.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4102.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23915.png

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

Summary

../../_images/fig_times7150.png

(a) Computation time