mp-28752/Ta7Cu3O19/harm

Harmonic properties

../../_images/fig_bandos_pr11620.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15616.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11620.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211332.png

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

Summary

../../_images/fig_times19768.png

(a) Computation time