mp-707981/Y4H9NO13/harm

Harmonic properties

../../_images/fig_bandos_pr4280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5974.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24093.png

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

Summary

../../_images/fig_times7611.png

(a) Computation time