mp-17892/Ca2VN3/harm

Harmonic properties

../../_images/fig_bandos_pr14058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18440.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213686.png

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

Summary

../../_images/fig_times23520.png

(a) Computation time