mp-706986/PH4NO3/harm

Harmonic properties

../../_images/fig_bandos_pr4472.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6306.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4472.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24285.png

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

Summary

../../_images/fig_times7996.png

(a) Computation time