mp-540550/NaH2ClO5/harm

Harmonic properties

../../_images/fig_bandos_pr9678.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13536.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9678.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29439.png

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

Summary

../../_images/fig_times16834.png

(a) Computation time