Table 1

Eight-atom cubic unit cell equilibrium lattice parameters for different methods used in this work
Method a0 (Å)
PW (VASP) 5.469
DZP (SIESTA) 5.495
SZP (SIESTA) 5.580

Drumm et al.

Drumm et al. Nanoscale Research Letters 2013 8:111   doi:10.1186/1556-276X-8-111

Open Data