mp-24128-2/ReH4NO4/harm

Equation of state

../../_images/fig_bm6098.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12345.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12345.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212044.png

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

Summary

../../_images/fig_times20949.png

(a) Computation time