mp-28569-2/NaInBr4/harm

Equation of state

../../_images/fig_bm5638.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11542.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15550.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11542.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211256.png

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

Summary

../../_images/fig_times19662.png

(a) Computation time