mp-27599-2/KIn2F7/harm

Equation of state

../../_images/fig_bm5968.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12158.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16269.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12158.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211859.png

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

Summary

../../_images/fig_times20602.png

(a) Computation time