mp-995226/H2CO/harm

Harmonic properties

../../_images/fig_bandos_pr897.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos811.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo897.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2791.png

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

Summary

../../_images/fig_times1325.png

(a) Computation time