mp-559710-2/NaInAs2O7/harm

Equation of state

../../_images/fig_bm3981.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7660.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10755.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7660.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27423.png

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

Summary

../../_images/fig_times13531.png

(a) Computation time