mp-505077/NaH9O5/harm

Harmonic properties

../../_images/fig_bandos_pr9844.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13748.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9844.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29599.png

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

Summary

../../_images/fig_times17110.png

(a) Computation time