- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Pos200700p270700d000700Id150300000 automatic generation
- cristal = sc
- E_min = -217.41
- a_min = 3.423 angs
- Bulk modulus = 34 GPa
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