- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Weighted Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Scs150800p000800d050800 automatic generation
- cristal = fcc
- E_min = -47.76
- a_min = 4.628 angs
- Bulk modulus = 55 GPa
- read more