mp-24018/CaZnAsHO5/harm

Harmonic properties

../../_images/fig_bandos_pr12599.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16954.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12599.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212297.png

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

Summary

../../_images/fig_times21407.png

(a) Computation time