mp-560394/AsPbClO2/harm

Harmonic properties

../../_images/fig_bandos_pr7483.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10535.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7483.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27247.png

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

Summary

../../_images/fig_times13255.png

(a) Computation time