mp-559868-2/NaLaC2O6/harm

Equation of state

../../_images/fig_bm3990.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7692.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7692.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27455.png

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

Summary

../../_images/fig_times13589.png

(a) Computation time