- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Weighted Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Nis190600p000600d680600 automatic generation
- cristal = fcc
- E_min = -1043.11
- a_min = 3.513 angs
- Bulk modulus = 208 GPa
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