mp-560170-2/Nd5Te2Cl3O10/harm

Equation of state

../../_images/fig_bm4019.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7771.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10910.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7771.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27534.png

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

Summary

../../_images/fig_times13715.png

(a) Computation time