mp-1189886/H4C2NO2/harm

Harmonic properties

../../_images/fig_bandos_pr15943.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20355.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15942.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215538.png

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

Summary

../../_images/fig_times26259.png

(a) Computation time