mp-559530/Ti5P4O20/harm

Harmonic properties

../../_images/fig_bandos_pr7941.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11155.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7941.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27703.png

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

Summary

../../_images/fig_times13996.png

(a) Computation time