mp-1001080/H2CO3/harm

Equation of state

../../_images/fig_bm63.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr260.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos257.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo260.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2228.png

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

Summary

../../_images/fig_times414.png

(a) Computation time