mp-759378/Nb3Tl3O10/harm

Equation of state

../../_images/fig_bm1343.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3053.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3935.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22873.png

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

Summary

../../_images/fig_times5240.png

(a) Computation time