mp-7441/KP/harm

Harmonic properties

../../_images/fig_bandos_pr4541.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6364.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4541.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24353.png

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

Summary

../../_images/fig_times8091.png

(a) Computation time