mp-691065-2/K6Ba2CaU6O24/harm

Harmonic properties

../../_images/fig_bandos_pr5060.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7134.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5060.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24865.png

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

Summary

../../_images/fig_times9034.png

(a) Computation time