mp-559868/NaLaC2O6/harm

Harmonic properties

../../_images/fig_bandos_pr7691.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10804.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7691.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27454.png

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

Summary

../../_images/fig_times13588.png

(a) Computation time