mp-559653/SrCaC2O6/harm

Harmonic properties

../../_images/fig_bandos_pr7649.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10739.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7649.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27412.png

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

Summary

../../_images/fig_times13514.png

(a) Computation time