- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Weighted Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Cos200600p000600d640600ionPP21660 automatic generation
- cristal = fcc
- E_min = -784.7
- a_min = 3.459 angs
- Bulk modulus = 242 GPa
- read more