mp-625924/H5NO/harm

Harmonic properties

../../_images/fig_bandos_pr5723.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8229.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5723.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25519.png

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

Summary

../../_images/fig_times10344.png

(a) Computation time