mp-1180310/Na2SO5/harm

Harmonic properties

../../_images/fig_bandos_pr16136.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20564.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16135.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215731.png

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

Summary

../../_images/fig_times26536.png

(a) Computation time