mp-14676-2/NdTa7O19/harm

Equation of state

../../_images/fig_bm7259.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14512.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18870.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14512.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214131.png

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

Summary

../../_images/fig_times24163.png

(a) Computation time