mp-557597/K2CaN4O8/harm

Harmonic properties

../../_images/fig_bandos_pr8137.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11440.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8137.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27899.png

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

Summary

../../_images/fig_times14328.png

(a) Computation time