mp-18361/K7NbAs4/harm

Harmonic properties

../../_images/fig_bandos_pr13852.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18248.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13852.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213480.png

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

Summary

../../_images/fig_times23227.png

(a) Computation time