mp-677072/CaIn2Te4/harm

Harmonic properties

../../_images/fig_bandos_pr5089.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7207.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24894.png

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

Summary

../../_images/fig_times9110.png

(a) Computation time