mp-703559-2/KSrAsH16O12/harm

Harmonic properties

../../_images/fig_bandos_pr4434.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6196.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4434.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24247.png

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

Summary

../../_images/fig_times7883.png

(a) Computation time