mp-696762/TlP2H5O8/harm

Harmonic properties

../../_images/fig_bandos_pr4921.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6869.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4921.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24730.png

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

Summary

../../_images/fig_times8732.png

(a) Computation time