mp-728749/V2PH10C2N2O8F/harm

Harmonic properties

../../_images/fig_bandos_pr4227.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5840.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4227.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24040.png

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

Summary

../../_images/fig_times7471.png

(a) Computation time