mp-976587/KP2AuS7/harm

Harmonic properties

../../_images/fig_bandos_pr1040.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos971.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1040.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2908.png

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

Summary

../../_images/fig_times1556.png

(a) Computation time