mp-1215593/ZnGeAsP/harm

Harmonic properties

../../_images/fig_bandos_pr15513.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19901.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15512.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215108.png

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

Summary

../../_images/fig_times25635.png

(a) Computation time