mp-18440-2/Rb7NbAs4/harm

Equation of state

../../_images/fig_bm6947.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18274.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213501.png

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

Summary

../../_images/fig_times23260.png

(a) Computation time