mp-559366/PBrNF/harm

Harmonic properties

../../_images/fig_bandos_pr7915.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7915.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27677.png

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

Summary

../../_images/fig_times13951.png

(a) Computation time