mp-676563-2/Ta4Cu2O11/harm

Harmonic properties

../../_images/fig_bandos_pr5310.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7609.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5310.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25115.png

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

Summary

../../_images/fig_times9579.png

(a) Computation time