Table 2
Computational parameters
K-point meshes
R
MT
-K
MAX
(bohr ×
Ry
1/2
)
Separation energy (Ry)
G
Max
(Ry
1/2
)
Muffin-tin radii (bohr)
8 × 8 × 3
7
8
12
1.51
Yazdanmehr
et al.
Nanoscale Research Letters
2012
7
:488 doi:10.1186/1556-276X-7-488
