mp-561243/Sr2CuClO2/harm

Harmonic properties

../../_images/fig_bandos_pr7346.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10343.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7346.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27110.png

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

Summary

../../_images/fig_times13028.png

(a) Computation time