mp-849786/ZnP2H15C4NO8/harm

Harmonic properties

../../_images/fig_bandos_pr1706.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1686.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1706.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21539.png

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

Summary

../../_images/fig_times2589.png

(a) Computation time