mp-1188683/NdBS3/harm

Harmonic properties

../../_images/fig_bandos_pr16205.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20661.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16204.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215798.png

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

Summary

../../_images/fig_times26681.png

(a) Computation time