mp-1001080-2/H2CO3/harm

Harmonic properties

../../_images/fig_bandos_pr261.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos258.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo261.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2229.png

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

Summary

../../_images/fig_times415.png

(a) Computation time