mp-707294/ZnP2H15C5NO9/harm

Harmonic properties

../../_images/fig_bandos_pr4244.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5886.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4244.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24057.png

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

Summary

../../_images/fig_times7518.png

(a) Computation time