mp-18136/UTl4C3O11/harm

Harmonic properties

../../_images/fig_bandos_pr13790.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18171.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13790.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213418.png

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

Summary

../../_images/fig_times23118.png

(a) Computation time