- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Mulliken dipole)
- Autor : Daniel.G.Trabada
- method : charge_Ys060800p000800d100800 automatic generation
- cristal = fcc
- E_min = -42.28
- a_min = 5.084 angs
- Bulk modulus = 38 GPa
- read more