mp-995221/H2CSO4/harm

Harmonic properties

../../_images/fig_bandos_pr891.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo891.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2785.png

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

Summary

../../_images/fig_times1319.png

(a) Computation time