mp-720789/UH12N2O14/harm

Harmonic properties

../../_images/fig_bandos_pr4310.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6056.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4310.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24123.png

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

Summary

../../_images/fig_times7694.png

(a) Computation time