mp-1217766/SrYCoO4/harm

Harmonic properties

../../_images/fig_bandos_pr15230.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19610.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15229.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214842.png

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

Summary

../../_images/fig_times25205.png

(a) Computation time