mp-558340/Nd5As2ClO10/harm

Harmonic properties

../../_images/fig_bandos_pr7999.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11252.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7999.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27761.png

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

Summary

../../_images/fig_times14109.png

(a) Computation time