mp-697242/H5C2NO/harm

Harmonic properties

../../_images/fig_bandos_pr4679.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6486.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4679.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24490.png

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

Summary

../../_images/fig_times8285.png

(a) Computation time