mp-683957/Nd4CuTe5Cl3O15/harm

Equation of state

../../_images/fig_bm2459.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4969.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6942.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4969.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24776.png

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

Summary

../../_images/fig_times8819.png

(a) Computation time