mp-691065/K6Ba2CaU6O24/harm

Harmonic properties

../../_images/fig_bandos_pr5059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5059.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24864.png

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

Summary

../../_images/fig_times9033.png

(a) Computation time