mp-676673/NaClO2/harm

Harmonic properties

../../_images/fig_bandos_pr5072.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7166.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5072.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24877.png

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

Summary

../../_images/fig_times9067.png

(a) Computation time