mp-559727/Tl2CuAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr7663.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10761.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7663.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27426.png

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

Summary

../../_images/fig_times13538.png

(a) Computation time