mp-655027/SrH6C2O6/harm

Harmonic properties

../../_images/fig_bandos_pr5341.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7675.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5341.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25146.png

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

Summary

../../_images/fig_times9653.png

(a) Computation time