mp-690733-2/H2SO4/harm

Equation of state

../../_images/fig_bm2492.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7123.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24853.png

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

Summary

../../_images/fig_times9020.png

(a) Computation time