mp-18073-2/K7TaAs4/harm

Equation of state

../../_images/fig_bm6878.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13765.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18149.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13765.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213393.png

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

Summary

../../_images/fig_times23087.png

(a) Computation time