mp-677262/KInI4/harm

Harmonic properties

../../_images/fig_bandos_pr5112.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5112.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24917.png

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

Summary

../../_images/fig_times9145.png

(a) Computation time