mp-23683-2/H2CO/harm

Harmonic properties

../../_images/fig_bandos_pr12796.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17191.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12796.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212492.png

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

Summary

../../_images/fig_times21704.png

(a) Computation time