mp-1105917/CaTi4Pd3O12/harm

Harmonic properties

../../_images/fig_bandos_pr16249.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20694.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16248.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215842.png

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

Summary

../../_images/fig_times26741.png

(a) Computation time