mp-693132/ZnGaP2H4NO8/harm

Harmonic properties

../../_images/fig_bandos_pr5061.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7137.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5061.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24866.png

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

Summary

../../_images/fig_times9037.png

(a) Computation time