mp-560170/Nd5Te2Cl3O10/harm

Harmonic properties

../../_images/fig_bandos_pr7770.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10909.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7770.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27533.png

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

Summary

../../_images/fig_times13714.png

(a) Computation time