mp-683957-2/Nd4CuTe5Cl3O15/harm

Harmonic properties

../../_images/fig_bandos_pr4970.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6943.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4970.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24777.png

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

Summary

../../_images/fig_times8820.png

(a) Computation time