mp-1188168/C2N2O5/harm

Harmonic properties

../../_images/fig_bandos_pr16180.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20645.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16179.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215773.png

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

Summary

../../_images/fig_times26649.png

(a) Computation time