mp-1079513-2/K2As2Pt/harm

Harmonic properties

../../_images/fig_bandos_pr16931.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21241.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16930.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216484.png

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

Summary

../../_images/fig_times27605.png

(a) Computation time