mp-14623-2/K5CuAs2/harm

Harmonic properties

../../_images/fig_bandos_pr14500.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18853.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14500.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214119.png

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

Summary

../../_images/fig_times24139.png

(a) Computation time