mp-696347-2/NaH3SO5/harm

Harmonic properties

../../_images/fig_bandos_pr4892.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6827.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4892.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24701.png

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

Summary

../../_images/fig_times8684.png

(a) Computation time