mp-24091-2/GaH4NF4/harm

Equation of state

../../_images/fig_bm6089.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12330.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16544.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12330.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212029.png

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

Summary

../../_images/fig_times20925.png

(a) Computation time