mp-18246/K6MnTe4/harm

Harmonic properties

../../_images/fig_bandos_pr13818.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18214.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13818.png

(c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all5828.png

(a) Grüneisen parameters

../../_images/fig_gruneisen5828.png

(b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc213446.png

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

Summary

../../_images/fig_times23175.png

(a) Computation time