mp-568052/K2Ga3/harm

Harmonic properties

../../_images/fig_bandos_pr7239.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10225.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7239.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27006.png

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

Summary

../../_images/fig_times12869.png

(a) Computation time