mp-1193772/Tl2CrO4/harm

Harmonic properties

../../_images/fig_bandos_pr15843.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20244.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15842.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215438.png

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

Summary

../../_images/fig_times26104.png

(a) Computation time